SCHEMBL7470436

SCHEMBL7470436

CCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.82
PTGS1 P23219 6/20 0.82
CYP2C9 P11712 1/20 0.71

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
SCHEMBL6342601 0.90 PTGS2 (1.00) PTGS2PTGS1CYP2C9
SCHEMBL7462246 0.90 PTGS2 (0.70) PTGS2PTGS1CYP2C9
SCHEMBL9088939 0.88 PTGS2 (0.74) PTGS2PTGS1CYP2C9
SCHEMBL8925428 0.88 PTGS2 (0.65) PTGS2PTGS1CYP2C9
SCHEMBL7461840 0.87 PTGS2 (0.81) PTGS2PTGS1CYP2C9
SCHEMBL4587819 0.87 PTGS2 (0.79) PTGS2PTGS1CYP2C9
SCHEMBL8953880 0.85 PTGS2 (0.81) PTGS2PTGS1CYP2C9
SCHEMBL16426376 0.85 PTGS2 (0.76) PTGS2PTGS1CYP2C9
SCHEMBL8925698 0.84 PTGS2 (0.71) PTGS2PTGS1CYP2C9
SCHEMBL7468667 0.84 PTGS2 (0.71) PTGS2PTGS1CYP2C9

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-0554829-B1 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed