SCHEMBL7499994

SCHEMBL7499994

CS(=O)(=O)c1ccc2c(C(=O)c3ccc(F)cc3)c(C#N)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.54
PTGS1 P23219 2/20 0.54
ESR1 P03372 1/20 0.42
EPAS1 Q99814 1/20 0.41
EPHX2 P34913 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL7505110 0.88 PTGES (0.41) PTGS2PTGS1EPAS1AKR1C2AKR1C1
SCHEMBL7496347 0.88 MAOA (0.43) PTGS2PTGS1
SCHEMBL7495890 0.88 PTGS2 (0.39) PTGS2PTGS1AKR1C2AKR1C1AKR1C3
SCHEMBL7501854 0.84 KAT6A (0.41) PTGS2PTGS1EPAS1
SCHEMBL7498185 0.83 PTGS2 (0.62) PTGS2PTGS1ESR1AKR1C2AKR1C1
SCHEMBL7499348 0.83 PTGS2 (0.58) PTGS2PTGS1ESR1AKR1C2AKR1C1
SCHEMBL7497620 0.80 PTGS1 (0.55) PTGS2PTGS1ESR1
SCHEMBL7499845 0.79 CA2 (0.40) PTGS2CYP2C9CYP2C19
SCHEMBL7501526 0.76 PTGS2 (0.51) PTGS2PTGS1ESR1EPHX2AKR1C2
SCHEMBL7506161 0.76 CA2 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966437-B1 5-AROYLNAPHTHALENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-06-12 EP claimed
EP-0966437-A1 5-AROYLNAPHTHALENE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP claimed
US-5962531-A PROSTAGLANDIN SYNTHASE INHIBITOR; RHEUMATIC DISORDERS SYNTEX (U.S.A.) INC. (US) 1999-10-05 US claimed
WO-1998032732-A1 5-AROYLNAPHTHALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO claimed
EP-0966437-B1 5-AROYLNAPHTHALENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2002-06-12 EP disclosed
US-6150397-A 5-(PYRIDYL, FURYL, OR THIENYL SUBSTITUTED)-6-SUBSTITUTED-2--2-NAPHTHALENESULFONAMIDES OF GIVEN FORMULA; INHIBITORS OF PROSTAGLANDIN G/H SYNTHASE; TREATING INFLAMMATORY DISEASE SUCH AS GOUT, ARTHRITIS, MYOSITIS, SYNOVITIS SYNTEX (U.S.A.) INC. (US) 2000-11-21 US disclosed
EP-0966437-A1 5-AROYLNAPHTHALENE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
US-5962531-A PROSTAGLANDIN SYNTHASE INHIBITOR; RHEUMATIC DISORDERS SYNTEX (U.S.A.) INC. (US) 1999-10-05 US disclosed
WO-1998032732-A1 5-AROYLNAPHTHALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed