SCHEMBL7840469

SCHEMBL7840469

CC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.79
PTGS1 P23219 10/20 0.64

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
SCHEMBL7847486 0.88 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7846292 0.88 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7833896 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8798132 0.86 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7841695 0.83 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7843562 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7846681 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7844330 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7846075 0.80 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7834096 0.80 PTGS2 (0.57) 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