SCHEMBL876852

SCHEMBL876852

COc1ccc(-c2ccc(SC(CCn3nnc4ccc(C)cc4c3=O)C(=O)O)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.41
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP3 P08254 2/20 0.37
MMP13 P45452 2/20 0.37
MMP1 P03956 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL874628 0.94 GPR139 (0.41) GPR139ALDH1A1PKMTSHRSTAT3
SCHEMBL877962 0.92 NPSR1 (0.42) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877148 0.92 GPR139 (0.42) GPR139ALDH1A1PKMTSHRSTAT3
SCHEMBL15733404 0.91 GPR139 (0.42) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL877842 0.90 MMP2 (0.47) GPR139ALDH1A1PKMTSHRSTAT3
SCHEMBL15733101 0.90 GPR139 (0.41) GPR139SMN1; SMN2MMP2MMP9MMP3
SCHEMBL877877 0.88 GPR139 (0.41) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL874598 0.88 GPR139 (0.53) GPR139MMP2MMP9MMP3MMP13
SCHEMBL878139 0.88 GPR139 (0.45) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL877105 0.87 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP2MMP9

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 2694/4885ALDH1A1 2281/4885PKM 2274/4885

“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.