SCHEMBL5482270

SCHEMBL5482270

CCc1onc(-c2ccccc2)c1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.63
PTGS1 P23219 2/20 0.63
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA9 Q16790 6/20 0.53
CA12 O43570 4/20 0.53
CA4 P22748 2/20 0.53
CA7 P43166 2/20 0.53
CA13 Q8N1Q1 2/20 0.53
PDE4A P27815 2/20 0.53
MT-CO2 P00403 1/20 0.53
LMNA P02545 1/20 0.53
CA3 P07451 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA2B P18089 1/20 0.53
CA6 P23280 1/20 0.53

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
SCHEMBL4880685 0.87 PTGS2 (0.77) PTGS2PTGS1CA1CA2CA9
SCHEMBL6832160 0.83 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL2279510 0.79 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL8475898 0.79 PTGS2 (0.61) PTGS2PTGS1CA1CA2CA9
SCHEMBL13524347 0.78 PTGS2 (0.73) PTGS2PTGS1CA1CA2CA9
SCHEMBL30901200 0.78 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL30901199 0.78 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL28679825 0.78 PTGS2 (0.76) PTGS2PTGS1CA1CA2CA9
SCHEMBL4891953 0.78 PTGS2 (0.78) PTGS2PTGS1CA1CA2CA9
SCHEMBL28397844 0.77 PTGS2 (0.78) PTGS2PTGS1CA1CA2CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072921-A1 CRYSTALLINE FORM OF 4-[5-METHYL-3-PHENYLISOXAZOL-4-YL] BENZENESULFONAMIDE TALLEY JOHN J 2007-03-29 US disclosed
EP-1283203-A1 Crystalline form of 4-(5-methyl-3-phenylisoxazol-4-yl) benzene-sulfonamide G.D. SEARLE & CO. (US) 2003-02-12 EP disclosed
US-20030004200-A1 Cyclooxygenase inhibitors; antiinflammatory agents G.D. SEARLE & CO. 2003-01-02 US disclosed
EP-0920422-B1 CRYTALLINE FORM OF 4-[5-METHYL-3-PHENYLISOXAZOL-4-YL]BENZENESULFONAMIDE SEARLE & CO (US) 2002-11-20 EP disclosed
US-20010003752-A1 Antiinflammatory agent, useful for treating cylcoocygenase-2 associated disorders G.D. SEARLE & CO. (US) 2001-06-14 US disclosed
EP-0920422-A1 CRYTALLINE FORM OF 4-[5-METHYL-3-PHENYLISOXAZOL-4-YL]BENZENESULFONAMIDE G.D. SEARLE & CO. (US) 1999-06-09 EP disclosed
WO-1998006708-A1 CRYSTALLINE FORM OF 4-[5-METHYL-3-PHENYLISOXAZOL-4-YL]BENZENESULFONAMIDE G.D. SEARLE & CO. (US) 1998-02-19 WO disclosed