SCHEMBL7501533

SCHEMBL7501533

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.50
PTGS1 P23219 4/20 0.50
ESR1 P03372 1/20 0.41
ESR2 Q92731 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
PTGER1 P34995 1/20 0.38
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL7497620 0.85 PTGS1 (0.55) PTGS2PTGS1ESR1HSP90AA1
SCHEMBL7501526 0.81 PTGS2 (0.51) PTGS2PTGS1ESR1ESR2
SCHEMBL7498396 0.80 PTGS2 (0.50) PTGS2PTGS1ESR1PTGDR2
SCHEMBL7498185 0.79 PTGS2 (0.62) PTGS2PTGS1ESR1PTGDR2
SCHEMBL7499348 0.79 PTGS2 (0.58) PTGS2PTGS1ESR1PTGDR2
SCHEMBL7506942 0.76 ALDH1A1 (0.47) PTGDR2
SCHEMBL7505272 0.75 MEN1 (0.47) PTGS2PTGS1HSP90AA1
SCHEMBL7499994 0.75 PTGS2 (0.54) PTGS2PTGS1ESR1
SCHEMBL7507961 0.75 PTGS1 (0.43) PTGS2PTGS1HSP90AA1
SCHEMBL7503730 0.74 PTGS2 (0.47) 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 5 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 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