SCHEMBL4897620

SCHEMBL4897620

CCC(=O)N1CCC(c2nc(-c3ccc([S+](C)[O-])cc3)c(-c3ccnc(S(=O)(=O)NC)n3)[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
BRAF P15056 13/20 0.38
RAF1 P04049 2/20 0.35

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
SCHEMBL4585245 0.86 MAPK11 (0.40) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL8554729 0.67 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4920703 0.66 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5566132 0.65 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL13149934 0.62 KMT2A (0.46)
SCHEMBL4585911 0.61 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL6664250 0.61 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27907139 0.61 FAAH (0.62)
SCHEMBL7677062 0.61 MAPK14 (0.36) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4587310 0.61 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14BRAF

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
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed