SCHEMBL8640523

SCHEMBL8640523

COc1ccc2cc(-c3cc(C(F)(F)F)nn3NS(=O)(=O)c3ccccc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.45
PTGS2 P35354 10/20 0.45
PTGS1 P23219 3/20 0.44
PDPK1 O15530 1/20 0.44
PLAU P00749 2/20 0.44
PLAT P00750 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGER1 P34995 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7868758 0.91 PTGS2 (0.53) PTGS2PTGS1MAPTSMN1; SMN2PTGER1
SCHEMBL8641218 0.89 MAPT (0.46) PTGS2PTGS1MAPTSMN1; SMN2
SCHEMBL8638222 0.89 PDPK1 (0.55) PTGS2PTGS1PDPK1SMN1; SMN2
Benzenesulfonamide SCHEMBL8525050 0.87 PTGS2 (0.61) PTGS2PTGS1PDPK1
SCHEMBL8637024 0.85 PTGS2 (0.54) PTGS2PTGS1MAPTSMN1; SMN2KMT2A
SCHEMBL8641086 0.84 PTGS2 (0.44) PTGS2PTGS1MAPTSMN1; SMN2MEN1
SCHEMBL8639246 0.83 PTGS2 (0.56) PTGS2PTGS1MAPTSMN1; SMN2
SCHEMBL8640455 0.83 PTGS2 (0.45) PTGS2PTGS1MAPTSMN1; SMN2
SCHEMBL8690933 0.83 PTGS2 (0.45) PTGS2PTGS1MAPTSMN1; SMN2MEN1
SCHEMBL8640531 0.83 PTGS2 (0.43) PTGS2PTGS1PDPK1

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 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