SCHEMBL875435

SCHEMBL875435

COc1ccc2nnn(CCC(C(=O)O)S(=O)(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.49
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 3/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL874966 0.95 GPR139 (0.49) GPR139MAPTRAB9ANPC1MMP2
SCHEMBL875092 0.92 GPR139 (0.44) GPR139MAPTRAB9AMMP2MMP9
SCHEMBL15735146 0.89 MMP2 (0.54) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877579 0.88 KMT2A (0.50) GPR139MAPTMMP2MMP9KDM4E
SCHEMBL874269 0.88 CTNNB1 (0.43) GPR139MAPTRAB9ANPC1MMP2
SCHEMBL874946 0.88 CTNNB1 (0.43) GPR139MAPTMMP2MMP9KDM4E
SCHEMBL874410 0.87 HTT (0.54) GPR139RAB9AMMP2MMP9KDM4E
SCHEMBL874819 0.87 GPR139 (0.44) GPR139MAPTRAB9AMMP2MMP9
SCHEMBL875236 0.87 MAPT (0.45) GPR139MAPTRAB9ANPC1MMP2
SCHEMBL875118 0.85 TSHR (0.52) GPR139MAPTRAB9ANPC1MMP2

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
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 GPR139 2694/4885MAPT 2663/4885RAB9A 1310/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.