SCHEMBL8765706

SCHEMBL8765706

CC(=O)NCc1ccc(-c2c(C(F)(F)F)nn(-c3ccc(CNC(C)=O)cc3)c2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.53
PTGS1 P23219 7/20 0.53
GRIA2 P42262 1/20 0.52
PDPK1 O15530 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL8765195 0.96 PTGS2 (0.59) PTGS2PTGS1GRIA2PDPK1CA1
SCHEMBL8632941 0.95 PTGS2 (0.55) PTGS2PTGS1GRIA2PDPK1CA1
SCHEMBL8765446 0.91 GRIA2 (0.53) PTGS2PTGS1GRIA2
SCHEMBL8765223 0.88 GRIA2 (0.50) PTGS2PTGS1GRIA2
SCHEMBL8764378 0.87 GRIA2 (0.48) PTGS2PTGS1GRIA2
SCHEMBL8765232 0.85 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA12
SCHEMBL8765250 0.85 PTGS2 (0.66) PTGS2PTGS1PDPK1
SCHEMBL8765404 0.85 PTGS2 (0.43) PTGS2PTGS1CA1CA2CA7
SCHEMBL8631328 0.82 PTGS2 (0.62) PTGS2PTGS1PDPK1CA1CA2
SCHEMBL8764774 0.81 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA7

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-0731794-B1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1997-08-06 EP disclosed
US-5639777-A 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders G.D. SEARLE & CO. (US) 1997-06-17 US disclosed
EP-0731794-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS SEARLE & CO (US) 1996-09-18 EP disclosed
WO-1995015317-A1 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed