SCHEMBL8924564

SCHEMBL8924564

CS(=O)(=O)c1ccc(-c2cc(C(F)F)nn2-c2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.64
PTGS1 P23219 5/20 0.64
CYP2C9 P11712 1/20 0.54

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
SCHEMBL9003118 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8953911 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8954050 0.89 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL8954509 0.89 PTGS2 (0.80) PTGS2PTGS1CYP2C9
SCHEMBL9243368 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7789562 0.88 PTGS2 (0.78) PTGS2PTGS1CYP2C9
SCHEMBL8953956 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8635509 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL9002995 0.88 PTGS2 (0.69) PTGS2PTGS1CYP2C9
SCHEMBL9002971 0.88 PTGS2 (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045767-C Pyrazole derivatives processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 CN disclosed
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 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
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US 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
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed