SCHEMBL9534367

SCHEMBL9534367

CC(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.55
PTGS1 P23219 3/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 3/20 0.38
USP7 Q93009 2/20 0.37
USP10 Q14694 1/20 0.37
USP47 Q96K76 1/20 0.37
CMA1 P23946 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK3 P27361 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9536230 0.87 PTGS2 (0.55) PTGS2PTGS1MAPTUSP7USP10
SCHEMBL9539237 0.83 PTGS2 (0.41) PTGS2PTGS1MAPTUSP7USP10
SCHEMBL9538778 0.81 PTGS2 (0.54) PTGS2PTGS1CA1CA2POLB
SCHEMBL9868559 0.81 PTGS2 (0.48) PTGS2PTGS1MAPTCMA1SMN1; SMN2
SCHEMBL9538281 0.80 CA1 (0.44) PTGS2PTGS1CA1CA2MAPT
SCHEMBL9535471 0.79 PTGS2 (0.56) PTGS2PTGS1MAPTUSP7USP10
SCHEMBL9538909 0.78 PTGS2 (0.53) PTGS2PTGS1MAPTUSP7USP10
SCHEMBL9537417 0.78 PTGS2 (0.55) PTGS2PTGS1SMN1; SMN2GAAALDH1A1
SCHEMBL9536928 0.77 PTGS2 (0.54) PTGS2PTGS1POLBLMNA
SCHEMBL9537146 0.76 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304961-B1 NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-08-11 EP claimed
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed