SCHEMBL7846417

SCHEMBL7846417

COc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.83
PTGS1 P23219 3/20 0.65

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
SCHEMBL7832739 1.00 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5698703 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7833933 0.90 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7843865 0.90 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7844973 0.90 PTGS2 (0.89) PTGS2PTGS1
SCHEMBL7833636 0.90 PTGS2 (0.89) PTGS2PTGS1
SCHEMBL7845070 0.89 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL7833462 0.89 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL7833377 0.89 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL7846431 0.89 PTGS2 (0.87) 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 disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US 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