SCHEMBL10061557

SCHEMBL10061557

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 11/20 0.55
REN P00797 3/20 0.52
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MALT1 Q9UDY8 1/20 0.49

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
SCHEMBL30440351 0.97 CMA1 (0.55) CMA1RENF2PRSS1ITGB3
SCHEMBL30439967 0.94 CMA1 (0.55) CMA1RENF2PRSS1ITGB3
SCHEMBL24372015 0.89 CMA1 (0.51) CMA1RENF2PRSS1ITGB3
SCHEMBL13323714 0.89 CMA1 (0.51) CMA1RENF2PRSS1ITGB3
SCHEMBL22127929 0.89 CMA1 (0.52) CMA1RENF2PRSS1ITGB3
SCHEMBL22127777 0.89 CMA1 (0.52) CMA1RENF2PRSS1ITGB3
SCHEMBL22127925 0.89 CMA1 (0.52) CMA1RENF2PRSS1ITGB3
SCHEMBL22127775 0.89 CMA1 (0.52) CMA1RENF2PRSS1ITGB3
SCHEMBL13323704 0.89 CMA1 (0.52) CMA1RENF2PRSS1ITGB3
SCHEMBL22127779 0.89 CMA1 (0.52) CMA1RENF2PRSS1ITGB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9220711-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-29 US disclosed
US-8937086-B2 Compounds for the treatment of pathologies associated with aging and degenerative disorders University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-01-20 US disclosed
US-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-01-05 US 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-20120004263-A1 Compounds for the treatment of pathologies associated with aging and degenerative disorders GLA, AGER, SIRT1 CMA1 2380/4885REN 1398/4885F2 1976/4885

“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.