SCHEMBL3365743

SCHEMBL3365743

CCOC(=O)[C@H](COCc1ccccc1)NC(=O)C(CC)(CC)NC(=O)[C@@H](S)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.42
CTSS P25774 5/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
CTSK P43235 4/20 0.40
CTSL P07711 1/20 0.40
PPARA Q07869 1/20 0.39
ACE P12821 2/20 0.38
CPA1 P15085 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
FOLH1 Q04609 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
SCHEMBL3362799 0.85 CTSS (0.39) MMECTSSMMP9MMP14CTSK
SCHEMBL3365729 0.80 CTSS (0.43) MMECTSSMMP9MMP14CTSK
SCHEMBL3364320 0.79 MME (0.53) MMECTSSMMP9MMP14CTSK
SCHEMBL13113511 0.77 PPARA (0.37) MMECTSSMMP9MMP14CTSK
Hydrochloric Acid SCHEMBL3362772 0.76 GHSR (0.51) CTSSPPARA
Hydrochloric Acid SCHEMBL27624943 0.76 GHSR (0.51) CTSSPPARA
SCHEMBL3362684 0.74 CTSS (0.42) MMECTSSMMP9MMP14CTSK
SCHEMBL3365980 0.73 PPARA (0.57) CTSSCTSKCTSLPPARA
SCHEMBL3362661 0.73 METAP2 (0.49) PPARAACE
SCHEMBL3361616 0.73 CTSS (0.41) MMECTSSMMP9MMP14CTSK

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 MME 9/4885CTSS 623/4885MMP9 395/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 MME 12/4885CTSS 1029/4885MMP9 461/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 MME 9/4885CTSS 623/4885MMP9 395/4885

“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.