SCHEMBL3363652

SCHEMBL3363652

CC(C)[C@H](S)C(=O)NC(C)(C)C(=O)N[C@@H](COCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.46
ACE P12821 8/20 0.46
CPA1 P15085 6/20 0.46
ACE2 Q9BYF1 6/20 0.46
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.44
FOLH1 Q04609 1/20 0.39
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MAPK1 P28482 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL3364320 0.91 MME (0.53) MMEACECPA1ACE2PPARA
SCHEMBL3363774 0.82 MME (0.51) MMEACECPA1ACE2PPARA
SCHEMBL3363766 0.82 MME (0.51) MMEACECPA1ACE2PPARA
SCHEMBL3363660 0.81 PPARA (0.54) MMEACECPA1ACE2PPARA
SCHEMBL3363659 0.80 ACE (0.46) MMEACECPA1ACE2MAPK1
SCHEMBL9074278 0.78 ACE (0.59) MMEACECPA1ACE2FOLH1
SCHEMBL9074287 0.78 ACE (0.59) MMEACECPA1ACE2FOLH1
SCHEMBL1374896 0.74 PPARA (0.76) ACEPPARAPPARGCTSS
SCHEMBL1374891 0.74 PPARA (0.76) ACEPPARAPPARGCTSS
SCHEMBL5001071 0.74 PPARA (0.76) ACEPPARAPPARGCTSS

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 8 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-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 (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-20020183260-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 MME 9/4885ACE 16/4885CPA1 40/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 MME 9/4885ACE 16/4885CPA1 40/4885

“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.