SCHEMBL3366052

SCHEMBL3366052

CCC[C@H](SC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](COCc1ccccc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 1/20 0.40
PPARA Q07869 1/20 0.40
CTSG P08311 3/20 0.39
FOLH1 Q04609 1/20 0.38
CMA1 P23946 2/20 0.38
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL3361616 0.88 CTSS (0.41) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3362684 0.87 CTSS (0.42) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3364491 0.85 CTSS (0.38) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3364495 0.85 CTSS (0.38) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3363737 0.83 PPARA (0.40) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3365729 0.82 CTSS (0.43) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3361131 0.81 CTSS (0.41) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3365980 0.79 PPARA (0.57) KLK7KLK5CTSSCTSKPPARA
SCHEMBL3365604 0.79 CTSS (0.38) KLK7KLK5CTSSCTSKPPARA
SCHEMBL13113845 0.79 CTSS (0.38) KLK7KLK5CTSSCTSKPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239268-A1 Dipeptide derivatives Novartis AG (CH) 2010-10-13 EP disclosed
EP-2239268-A1 Dipeptide derivatives Novartis AG (CH) 2010-10-13 EP disclosed
US-20060058242-A1 Dipeptide derivatives FINK CYNTHIA A 2006-03-16 US disclosed
US-6992105-B2 Dipeptide derivatives NOVARTIS AG (CH) 2006-01-31 US disclosed
US-20040235754-A1 Dipeptide derivatives NOVARTIS AG (CH) 2004-11-25 US disclosed
US-6777443-B2 Dipeptide derivatives NOVARTIS AG (CH) 2004-08-17 US disclosed
EP-1392720-A2 DIPEPTIDE DERIVATIVES HAVING A N-TERMINAL 2-THIOACYL GROUP AS VASOPEPTIDASE INHIBITORS Novartis AG (CH) 2004-03-03 EP disclosed
US-20020183260-A1 Dipeptide derivatives NOVARTIS AG (CH) 2002-12-05 US disclosed
WO-2002092622-A2 DIPEPTIDE DERIVATIVES HAVING A N-TERMINAL 2-THIOACYL GROUP AS VASOPEPTIDASE INHIBITORS NOVARTIS AG (CH) 2002-11-21 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 (3 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-20020183260-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 KLK7 1059/4885KLK5 1209/4885CTSS 623/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 KLK7 1542/4885KLK5 2020/4885CTSS 1029/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 KLK7 1059/4885KLK5 1209/4885CTSS 623/4885

“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.