SCHEMBL874428

SCHEMBL874428

COc1ccc2c(=O)n(CCC(OCc3ccc(-c4ccc(Cl)cc4)cc3)C(=O)O)nnc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
MMP2 P08253 4/20 0.47
MMP3 P08254 4/20 0.47
MMP9 P14780 4/20 0.47
MMP13 P45452 4/20 0.47
MMP1 P03956 3/20 0.47
GPR139 Q6DWJ6 9/20 0.45
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL875463 0.91 PPARG (0.53) PPARGPPARAMMP2MMP3MMP9
SCHEMBL875126 0.86 MMP2 (0.59) PPARGPPARAMMP2MMP3MMP9
SCHEMBL877491 0.84 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL874780 0.82 PPARG (0.49) PPARGPPARAMMP2MMP3MMP9
SCHEMBL15735059 0.82 GPR139 (0.49) PPARGPPARAMMP2MMP3MMP9
SCHEMBL877754 0.82 GPR139 (0.49) PPARGPPARAMMP2MMP3MMP9
SCHEMBL874630 0.82 MMP2 (0.47) PPARGPPARAMMP2MMP3MMP9
SCHEMBL877119 0.82 MMP2 (0.52) PPARGPPARAMMP2MMP3MMP9
SCHEMBL15733192 0.82 MMP2 (0.52) PPARGPPARAMMP2MMP3MMP9
SCHEMBL874496 0.81 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1

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 PPARG 891/4885PPARA 1792/4885MMP2 17/4885

“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.