SCHEMBL3365604

SCHEMBL3365604

CCOC(=O)[C@H](COCc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](SC(=O)COC)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.38
PPARA Q07869 2/20 0.38
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CTSG P08311 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
PPARG P37231 1/20 0.35
MME P08473 1/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 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
SCHEMBL13113845 1.00 CTSS (0.38) CTSSPPARAKLK7KLK5CTSG
SCHEMBL3362567 0.90 CTSS (0.40) CTSSPPARAKLK7KLK5CTSG
SCHEMBL3361616 0.89 CTSS (0.41) CTSSPPARAKLK7KLK5MMP9
SCHEMBL3363636 0.84 CTSS (0.41) CTSSKLK7KLK5
SCHEMBL3365729 0.81 CTSS (0.43) CTSSPPARAKLK7KLK5MMP9
SCHEMBL3362684 0.81 CTSS (0.42) CTSSPPARAKLK7KLK5MMP9
SCHEMBL3366052 0.79 KLK7 (0.40) CTSSPPARAKLK7KLK5CTSG
SCHEMBL3364495 0.79 CTSS (0.38) CTSSPPARAKLK7KLK5MMP9
SCHEMBL3364491 0.79 CTSS (0.38) CTSSPPARAKLK7KLK5MMP9
SCHEMBL3365980 0.77 PPARA (0.57) CTSSPPARAKLK7KLK5PPARG

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 CTSS 1029/4885PPARA 4773/4885KLK7 1542/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 CTSS 623/4885PPARA 4863/4885KLK7 1059/4885

“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.