SCHEMBL8640455

SCHEMBL8640455

COc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.45
PTGS1 P23219 8/20 0.44
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 1/20 0.40

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
Benzenesulfonamide SCHEMBL7192191 0.95 PTGS2 (0.53) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8692192 0.93 PTGS2 (0.42) PTGS2PTGS1ABCB11ALDH1A1SCN9A
SCHEMBL8689604 0.92 PTGS2 (0.41) PTGS2PTGS1ABCB11ALDH1A1SCN9A
SCHEMBL8637024 0.92 PTGS2 (0.54) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8639246 0.90 PTGS2 (0.56) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8689324 0.89 PTGS2 (0.45) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8694127 0.88 PTGS2 (0.57) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8689085 0.87 PTGS2 (0.44) PTGS2PTGS1MAPTTHRBSMN1; SMN2
SCHEMBL8691235 0.85 PTGS2 (0.50) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8688621 0.85 PTGS2 (0.42) PTGS2PTGS1MAPTPOLBTHRB

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 6 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-5510496-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1996-04-23 US disclosed
US-5504215-A Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-04-02 US disclosed