SCHEMBL9535342

SCHEMBL9535342

CSc1ccc(NS(C)(=O)=O)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.57
PTGS1 P23219 3/20 0.57
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PTGES2 Q9H7Z7 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.38
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL9537442 0.83 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL9537667 0.81 PTGS2 (0.56) PTGS2PTGS1PTGES2ALDH1A1PLA2G7
SCHEMBL9540058 0.80 PTGS2 (0.55) PTGS2PTGS1SLC6A2SLC6A4
SCHEMBL9536230 0.80 PTGS2 (0.55) PTGS2PTGS1ALDH1A1PLA2G7
SCHEMBL9537417 0.80 PTGS2 (0.55) PTGS2PTGS1ALDH1A1PLA2G7
SCHEMBL9535031 0.80 PTGS2 (0.55) PTGS2PTGS1PTGES2
SCHEMBL9536821 0.79 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL9537176 0.79 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL9536928 0.79 PTGS2 (0.54) PTGS2PTGS1PLA2G7
SCHEMBL9538909 0.78 PTGS2 (0.53) PTGS2PTGS1ALDH1A1PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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