What's different between CHEMBL13035 and SCHEMBL122822, why does SCHEMBL122822 has an extra "S" at the beginning?

What's different between CHEMBL13035 and SCHEMBL122822, why does SCHEMBL122822 has an extra "S" at the beginning?

CHEMBL13035 vs. SCHEMBL122822:

· CHEMBL13035 is a curated entry in the ChEMBL database. Curated entries are manually reviewed, verified, and annotated by experts. These represent known bioactive compounds or drugs, usually with experimentally validated data and established biological activity.

· SCHEMBL122822 (with an extra "S") is an uncurated, computationally generated entry in the ChEMBL database. The "S" prefix in "SCHEMBL" indicates that the entry is from a computational subset known as SureChEMBL. SureChEMBL integrates automatically mined chemical structures primarily from patents, and these entries have not undergone manual curation or validation.

Key Differences:

Feature	CHEMBL	SCHEMBL
Source	Curated literature and experimental results	Automatically extracted from patents (computational)
Validation	Manually reviewed	Not manually reviewed
Reliability	Higher confidence in structure and activity data	Lower confidence, requires verification
Naming convention	CHEMBL#####	SCHEMBL#####

In summary:

· CHEMBL compounds like CHEMBL13035 are verified, experimentally supported, and curated.

· SCHEMBL compounds like SCHEMBL122822 originate from computational patent mining and thus need further validation for precise chemical and biological accuracy.