SCHEMBL7841729

SCHEMBL7841729

CCCCCCNc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 2/20 0.60

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
SCHEMBL7833194 0.96 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL213895 0.91 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7840699 0.91 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7844299 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7841059 0.87 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7841293 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7842346 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7844651 0.84 PTPN1 (0.43) PTGS2PTGS1
SCHEMBL8797061 0.81 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7845011 0.81 PTGS2 (0.52) 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 5 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
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