SCHEMBL8639246

SCHEMBL8639246

COc1ccc(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.56
PTGS1 P23219 3/20 0.56
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 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
SCHEMBL8637024 0.92 PTGS2 (0.54) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8640455 0.90 PTGS2 (0.45) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8689324 0.89 PTGS2 (0.45) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8641600 0.88 PTGS2 (0.44) PTGS2PTGS1SMN1; SMN2
SCHEMBL8694127 0.88 PTGS2 (0.57) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8640692 0.87 PTGS2 (0.48) PTGS2PTGS1MAPTTHRBSMN1; SMN2
SCHEMBL8636729 0.86 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8691235 0.85 PTGS2 (0.50) PTGS2PTGS1MAPTPOLBTHRB
SCHEMBL8688621 0.85 PTGS2 (0.42) PTGS2PTGS1MAPTPOLBTHRB
Benzenesulfonamide SCHEMBL7192191 0.85 PTGS2 (0.53) PTGS2PTGS1ALDH1A1

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