SCHEMBL16635513

SCHEMBL16635513

CC1(C)OB(c2cc(F)cc(CNC(=O)[C@H]3C[C@@](C)(F)CN3S(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 18/20 0.63
TSHR P16473 1/20 0.42

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
SCHEMBL16635133 1.00 TRPA1 (0.63) TRPA1TSHR
SCHEMBL16635511 1.00 TRPA1 (0.63) TRPA1TSHR
SCHEMBL16635552 0.85 TRPA1 (0.59) TRPA1
SCHEMBL16647810 0.84 TRPA1 (0.71) TRPA1
SCHEMBL16635044 0.84 TRPA1 (0.71) TRPA1
SCHEMBL16634985 0.84 TRPA1 (0.71) TRPA1
SCHEMBL16647977 0.80 TRPA1 (0.54) TRPA1
SCHEMBL16647865 0.78 TRPA1 (1.00) TRPA1
SCHEMBL16635163 0.78 TRPA1 (1.00) TRPA1
SCHEMBL16647749 0.78 TRPA1 (1.00) 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