SCHEMBL8764378

SCHEMBL8764378

CC(=O)NCc1ccc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.48
PTGS2 P35354 11/20 0.45
PTGS1 P23219 3/20 0.42
EPHX2 P34913 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL8765223 0.97 GRIA2 (0.50) GRIA2PTGS2PTGS1EPHX2CYP1A2
SCHEMBL8765446 0.95 GRIA2 (0.53) GRIA2PTGS2PTGS1CYP1A2CYP2D6
SCHEMBL8632941 0.92 PTGS2 (0.55) GRIA2PTGS2PTGS1
SCHEMBL8765195 0.89 PTGS2 (0.59) GRIA2PTGS2PTGS1EPHX2
SCHEMBL8765706 0.87 PTGS2 (0.53) GRIA2PTGS2PTGS1
SCHEMBL8637444 0.86 PTGS2 (0.48) PTGS2PTGS1EPHX2
SCHEMBL8918092 0.85 PTGS2 (0.50) GRIA2PTGS2PTGS1CYP1A2CYP2D6
SCHEMBL8765529 0.85 PTGS2 (0.41) PTGS2EPHX2ELANE
SCHEMBL8765109 0.85 PTGS2 (0.56) GRIA2PTGS2PTGS1CYP1A2CYP2D6
Dimethylamine SCHEMBL8765090 0.84 PTGS2 (0.53) GRIA2PTGS2PTGS1CYP1A2CYP2D6

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 8 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 claimed
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 claimed
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 claimed
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
US-5401765-A FOR TREATING ARTHRITIS, PAIN AND FEVER Searle, G. D. (US) 1995-03-28 US disclosed