SCHEMBL16635476

SCHEMBL16635476

COC(=O)c1cnc(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)C1C(O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.46
EPHX2 P34913 1/20 0.39

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
SCHEMBL16648017 1.00 TRPA1 (0.46) TRPA1EPHX2
SCHEMBL16634932 0.93 TRPA1 (0.47) TRPA1
SCHEMBL17959563 0.93 TRPA1 (0.47) TRPA1
SCHEMBL16648036 0.92 TRPA1 (0.46) TRPA1
SCHEMBL20113239 0.90 TRPA1 (0.47) TRPA1EPHX2
SCHEMBL16648156 0.85 TRPA1 (0.51) TRPA1
SCHEMBL16647972 0.85 TRPA1 (0.56) TRPA1
SCHEMBL17959530 0.85 TRPA1 (0.56) TRPA1
SCHEMBL16636112 0.84 TRPA1 (0.59) TRPA1
SCHEMBL16635295 0.84 TRPA1 (0.59) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed