SCHEMBL6161996

SCHEMBL6161996

COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCC2CC[S+]([O-])C2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.52
RAF1 P04049 3/20 0.44
TNF P01375 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
CIT O14578 1/20 0.37
MUSK O15146 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
HSPB1 P04792 1/20 0.37
PRKCB P05771 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL6161848 0.92 MAPK14 (0.51) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL6162657 0.86 MAPK14 (0.56) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL6166663 0.83 RAF1 (0.49) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6164389 0.83 MAPK14 (0.44) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL6162733 0.83 MAPK14 (0.54) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL6162917 0.82 MAPK14 (0.53) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL6160799 0.82 MAPK14 (0.41) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL5619112 0.79 MAPK14 (0.41) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL6164232 0.78 MAPK14 (0.43) MAPK14RAF1TNFMAPK13MAPK12
SCHEMBL6164412 0.78 MAPK14 (0.55) MAPK14RAF1TNFMAPK13MAPK12

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-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP claimed
JP-2002539206-A 2002-11-19 JP claimed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP claimed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP 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
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed