SCHEMBL537896

SCHEMBL537896

Cc1cc(CC(N)=O)c(F)cc1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
EPHX2 P34913 1/20 0.37
TNIK Q9UKE5 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRB3 P13945 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
NEU3 Q9UQ49 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
SCHEMBL4312790 0.83 MAPT (0.39) MAPTEPHX2NPC1ALDH1A1NEU3
SCHEMBL537466 0.81 ADRA2C (0.38) MAPTADRA2CADRA1AADRA1BTNIK
Hydrochloric Acid SCHEMBL537480 0.79 HTR2A (0.37) MAPTADRA2CADRA1AADRA1BTNIK
SCHEMBL2760281 0.76 KEAP1 (0.46) MAPTTNIKNPC1
SCHEMBL2348148 0.75 MAPT (0.39) MAPTTNIKNPC1NEU3
SCHEMBL15507547 0.74 KEAP1 (0.44) MAPTADRA2CADRA1AADRA1BTNIK
SCHEMBL4303130 0.74 NPC1 (0.43) MAPTADRA2CADRA1ANPC1ALDH1A1
SCHEMBL1474758 0.73 MAPT (0.44) MAPTTNIKNPC1ALDH1A1
SCHEMBL3633978 0.72 TRPV1 (0.51) TRPV1
SCHEMBL9803702 0.70 CA2 (0.37) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP claimed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO claimed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
EP-2215054-B8 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2012-02-08 EP disclosed
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed