SCHEMBL4729217

SCHEMBL4729217

COc1c(NS(C)(=O)=O)cc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.57
SCARB1 Q8WTV0 6/20 0.45
SRC P12931 2/20 0.43
SYK P43405 2/20 0.43
GSK3A P49840 2/20 0.43
LCK P06239 1/20 0.43
BRAF P15056 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
SCHEMBL4016327 0.89 MAPK14 (0.54) MAPK14SCARB1BRAF
SCHEMBL690060 0.88 MAPK14 (0.53) MAPK14SCARB1BRAF
Hydrochloric Acid SCHEMBL689965 0.86 MAPK14 (0.52) MAPK14SCARB1BRAF
SCHEMBL5311588 0.86 MAPK14 (0.52) MAPK14SCARB1BRAF
SCHEMBL10231144 0.84 AKR1C3 (0.45) MAPK14
SCHEMBL1846611 0.83 MAPK14 (0.63) MAPK14SCARB1GSK3ABRAF
SCHEMBL10104416 0.81 MAPK14 (0.53) MAPK14SCARB1BRAF
SCHEMBL16139154 0.81 MAPK14 (0.63) MAPK14SCARB1GSK3ABRAF
SCHEMBL16138966 0.80 MAPK14 (0.53) MAPK14SCARB1BRAF
SCHEMBL19054703 0.80 MAPK14 (0.55) MAPK14SCARB1BRAF

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
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed