SCHEMBL8636819

SCHEMBL8636819

COc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.72
PTGS1 P23219 7/20 0.52
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
F10 P00742 2/20 0.46

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
SCHEMBL8639427 0.92 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8690936 0.90 PTGS2 (0.58) PTGS2PTGS1F10
SCHEMBL8639159 0.89 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8639295 0.85 PTGS2 (0.70) PTGS2PTGS1CA1CA2CA9
SCHEMBL8639264 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8644146 0.84 PTGS2 (0.69) PTGS2PTGS1F10
SCHEMBL6014008 0.83 PTGS2 (1.00) PTGS2PTGS1CA1CA2CA9
SCHEMBL8641090 0.83 PTGS2 (0.56) PTGS2PTGS1F10
SCHEMBL7920280 0.83 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8639247 0.83 PTGS2 (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed
US-5753688-A ANTIINFLAMMATORY TALLEY JOHN J (US) 1998-05-19 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed