SCHEMBL873568

SCHEMBL873568

Cc1ccc2c(=O)n(CCC(C(=O)O)N(c3ccc(-c4ccc(Cl)cc4)cc3)S(C)(=O)=O)nnc2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 10/20 0.44
MMP2 P08253 8/20 0.41
MMP3 P08254 8/20 0.41
MMP9 P14780 8/20 0.41
MMP13 P45452 8/20 0.41
MMP1 P03956 5/20 0.41
EIF4EBP1 Q13541 1/20 0.37
GRM2 Q14416 1/20 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
SCHEMBL874812 0.97 GPR139 (0.46) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877441 0.94 GPR139 (0.44) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877971 0.89 MMP2 (0.52) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876635 0.89 MMP2 (0.52) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874766 0.89 GPR139 (0.39) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877880 0.88 GPR139 (0.44) GPR139
SCHEMBL877478 0.86 GPR139 (0.50) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877097 0.84 EIF4EBP1 (0.39) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877531 0.83 MMP2 (0.51) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877140 0.83 MMP2 (0.51) GPR139MMP2MMP3MMP9MMP13

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-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed