SCHEMBL7833476

SCHEMBL7833476

COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.71
PTGS1 P23219 2/20 0.47
ALOX5 P09917 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44

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
SCHEMBL7844167 0.90 PTGS2 (0.70) PTGS2PTGS1ALOX5PTGDR2
SCHEMBL7844922 0.87 PTGS2 (0.68) PTGS2PTGS1ALOX5
SCHEMBL7841919 0.87 PTGS2 (0.68) PTGS2PTGS1ALOX5
SCHEMBL7842211 0.85 PTGS2 (0.64) PTGS2PTGS1PTGDR2
SCHEMBL7843228 0.84 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL7833473 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7833474 0.82 PTGS2 (0.76) PTGS2PTGS1ALOX5
SCHEMBL7840993 0.82 PTGS2 (0.72) PTGS2PTGS1ALOX5
SCHEMBL7844098 0.81 PTGS2 (0.72) PTGS2PTGS1ALOX5
SCHEMBL7845090 0.81 PTGS2 (0.59) PTGS2PTGS1ALOX5

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