Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363774

SCHEMBL3363774

SCHEMBL3363774

COC(C)[C@H](S)C(=O)NC(C)(C)C(=O)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.51
▸ PPARA Q07869 2/20 0.50
▸ PPARG P37231 1/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ CTSS P25774 3/20 0.45
▸ MMP9 P14780 1/20 0.44
▸ MMP14 P50281 1/20 0.44
▸ ACE P12821 5/20 0.40
▸ ACE2 Q9BYF1 5/20 0.40
▸ CPA1 P15085 4/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ REN P00797 1/20 0.37
▸ TAOK1 Q7L7X3 1/20 0.37
▸ TAOK3 Q9H2K8 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ S1PR1 P21453 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
SCHEMBL3363766 1.00 MME (0.51) MMEPPARAPPARGFOLH1CTSS
SCHEMBL3364320 0.91 MME (0.53) MMEPPARAPPARGFOLH1CTSS
SCHEMBL3363660 0.85 PPARA (0.54) MMEPPARAPPARGFOLH1CTSS
SCHEMBL3363652 0.82 MME (0.46) MMEPPARAPPARGFOLH1CTSS
SCHEMBL5227731 0.78 PPARA (0.71) MMEPPARAPPARGFOLH1CTSS
SCHEMBL5247747 0.78 PPARA (0.71) MMEPPARAPPARGFOLH1CTSS
SCHEMBL3362555 0.78 PPARA (0.46) MMEPPARAPPARGFOLH1CTSS
SCHEMBL28001215 0.77 PPARA (0.65) MMEPPARAPPARGFOLH1CTSS
SCHEMBL28001214 0.77 PPARA (0.65) MMEPPARAPPARGFOLH1CTSS
SCHEMBL3364491 0.76 CTSS (0.38) MMEPPARAPPARGCTSSMMP9

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 9/4885PPARA 4863/4885PPARG 4882/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 MME 12/4885PPARA 4773/4885PPARG 4878/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 MME 9/4885PPARA 4863/4885PPARG 4882/4885

“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.