SCHEMBL874766

SCHEMBL874766

CS(=O)(=O)N(c1ccc(-c2ccc(Cl)cc2)cc1)C(CCn1nnc2cc(C(F)(F)F)ccc2c1=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 12/20 0.39
MMP2 P08253 4/20 0.39
MMP3 P08254 4/20 0.39
MMP9 P14780 4/20 0.39
MMP13 P45452 4/20 0.39
MMP1 P03956 2/20 0.39
EIF4EBP1 Q13541 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL877441 0.91 GPR139 (0.44) GPR139MMP2MMP3MMP9MMP13
SCHEMBL873568 0.89 GPR139 (0.44) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876683 0.87 GPR139 (0.40) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876621 0.87 GPR139 (0.40) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877733 0.87 GPR139 (0.50) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876956 0.86 GPR139 (0.43) GPR139MMP2MMP9LMNAHTT
SCHEMBL874812 0.86 GPR139 (0.46) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876635 0.86 MMP2 (0.52) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877971 0.86 MMP2 (0.52) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877478 0.83 GPR139 (0.50) 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