SCHEMBL6166663

SCHEMBL6166663

COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCC2CC[S+]([O-])C2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.49
MAPK14 Q16539 8/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49

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
SCHEMBL6164232 0.92 MAPK14 (0.43) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6160799 0.89 MAPK14 (0.41) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6164566 0.86 RAF1 (0.52) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6168176 0.86 MAPK14 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6164389 0.85 MAPK14 (0.44) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6161996 0.83 MAPK14 (0.52) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6161905 0.83 MAPK14 (0.51) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6162917 0.82 MAPK14 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL7691837 0.81 RAF1 (0.50) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6161848 0.78 MAPK14 (0.51) RAF1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP claimed
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed