SCHEMBL874596

SCHEMBL874596

CCc1ccc(-c2ccc(SC(CCn3nnc4ccc(OC)cc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 8/20 0.43
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
ALOX5 P09917 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGES O14684 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL875104 0.93 GPR139 (0.45) GPR139MMP2MMP9PPARGPPARA
SCHEMBL876595 0.91 GPR139 (0.53) GPR139MMP2MMP9PPARGPPARA
SCHEMBL875467 0.90 MMP2 (0.47) GPR139MMP2MMP9PPARGPPARA
SCHEMBL877268 0.90 GPR139 (0.55) GPR139MMP2MMP9PPARGPPARA
SCHEMBL877765 0.89 GPR139 (0.45) GPR139MMP2MMP9PPARGPPARA
SCHEMBL877548 0.89 MMP2 (0.44) GPR139MMP2MMP9PPARGPPARA
SCHEMBL877788 0.88 GPR139 (0.44) GPR139MMP2MMP9PPARGPPARA
SCHEMBL874758 0.88 GPR139 (0.55) GPR139MMP2MMP9PPARGPPARA
SCHEMBL876597 0.88 GPR139 (0.42) GPR139MMP2MMP9PPARGPPARA
SCHEMBL874598 0.88 GPR139 (0.53) 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.