SCHEMBL8796958

SCHEMBL8796958

CS(=O)(=O)c1ccc(-c2scnc2-c2ccccc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.58
PTGS1 P23219 3/20 0.47

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
SCHEMBL5698725 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8796975 0.78 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL9206986 0.76 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8708001 0.74 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7832608 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8796884 0.72 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL2095690 0.72 MBNL1 (0.44)
SCHEMBL7844228 0.71 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7840996 0.71 ALOX5 (0.49) PTGS2PTGS1
SCHEMBL3801351 0.71 PTGS2 (0.63) PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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