SCHEMBL24002201

SCHEMBL24002201

CC(C)c1cncc(S)n1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1106488 0.82 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL20193291 0.76 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL1162069 0.73 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL22764043 0.71 CYP3A4 (0.33) NOS3NOS1NOS2
SCHEMBL179349 0.71 CDK2 (0.44) NOS3NOS1NOS2
SCHEMBL2611034 0.71 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL2760432 0.71 NOS3 (0.48) NOS3NOS1NOS2
SCHEMBL22543158 0.71 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL20675998 0.71 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL30354636 0.71 NOS3 (0.48) NOS3NOS1NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 NOS3 1841/4885NOS1 1317/4885NOS2 2360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.