SCHEMBL7840904

SCHEMBL7840904

CCNc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.56
PTGS1 P23219 9/20 0.56

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
SCHEMBL7845011 0.91 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7841059 0.89 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7841293 0.89 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7840699 0.87 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7846075 0.86 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7843562 0.84 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7841561 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7832049 0.81 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7844944 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7840416 0.81 PTGS2 (0.56) 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