SCHEMBL874628

SCHEMBL874628

COc1ccc(-c2ccc(SC(CCn3nnc4cc(C)ccc4c3=O)C(=O)O)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 7/20 0.41
ALDH1A1 P00352 3/20 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
NPSR1 Q6W5P4 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
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MCHR1 Q99705 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 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
SCHEMBL876852 0.94 GPR139 (0.41) GPR139ALDH1A1PKMTSHRSTAT3
SCHEMBL877105 0.92 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2NPSR1MMP2
SCHEMBL878138 0.91 MMP2 (0.42) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL877842 0.90 MMP2 (0.47) GPR139ALDH1A1PKMTSHRSTAT3
SCHEMBL875135 0.90 GPR139 (0.41) GPR139MMP2MMP9MMP3MMP13
SCHEMBL877962 0.87 NPSR1 (0.42) GPR139NPSR1MMP2MMP9MMP3
SCHEMBL877286 0.85 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2NPSR1MMP2
SCHEMBL877148 0.85 GPR139 (0.42) GPR139ALDH1A1PKMTSHRSTAT3
SCHEMBL15733112 0.85 GPR139 (0.41) GPR139ALDH1A1MMP2MMP9MMP3
SCHEMBL877415 0.84 GPR139 (0.45) GPR139ALDH1A1SMN1; SMN2NPSR1MMP2

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.