SCHEMBL877908

SCHEMBL877908

COc1ccc(-c2ccc(SC(CCn3nnc4c(C)cccc4c3=O)C(=O)O)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.43
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
PTGES O14684 4/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 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
SCHEMBL15733112 0.93 GPR139 (0.41) GPR139MMP2MMP9ALDH1A1KDM4E
SCHEMBL15735056 0.89 GPR139 (0.42) GPR139MMP2MMP9KDM4EKMT2A
SCHEMBL877146 0.88 GPR139 (0.51) GPR139MMP2MMP9ALDH1A1KMT2A
SCHEMBL15733344 0.86 GPR139 (0.41) GPR139MMP2MMP9PPARGPPARA
SCHEMBL877912 0.86 GPR139 (0.41) GPR139MMP2MMP9PPARGPPARA
SCHEMBL878368 0.86 GPR139 (0.41) GPR139MMP2MMP9PPARGPPARA
SCHEMBL877341 0.86 MMP2 (0.47) GPR139MMP2MMP9PPARGPPARA
SCHEMBL15735335 0.86 GPR139 (0.43) GPR139MMP2MMP9ALDH1A1KDM4E
SCHEMBL874595 0.86 GPR139 (0.42) GPR139MMP2MMP9PPARGPPARA
SCHEMBL877238 0.85 MMP2 (0.48) GPR139MMP2MMP9PPARGPPARA

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 2694/4885MMP2 17/4885MMP9 1/4885

“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.