SCHEMBL7841871

SCHEMBL7841871

COc1ccc(-c2nc(C)sc2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 1.00
PTGS1 P23219 14/20 1.00
CDK2 P24941 1/20 0.52

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
SCHEMBL5698728 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7841503 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7841695 0.80 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7834076 0.79 PTGS2 (1.00) PTGS2PTGS1CDK2
SCHEMBL21561303 0.79 PTGS2 (0.78) PTGS2PTGS1CDK2
SCHEMBL7840067 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8414701 0.77 PTGS2 (0.63) PTGS2PTGS1CDK2
SCHEMBL7832876 0.77 PTGS2 (0.93) PTGS2PTGS1
SCHEMBL7839649 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7832994 0.76 PTGS2 (1.00) PTGS2PTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP claimed
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed