Sugi Predict

Sugi Predict / Compounds / SCHEMBL3363754

SCHEMBL3363754

SCHEMBL3363754

CCOC(=O)[C@H](COCc1ccc(F)cc1)NC(=O)C(C)(C)NC(=O)[C@@H](SC(C)=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.35
▸ PPARG P37231 2/20 0.34
▸ CTSS P25774 5/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ KLK5 Q9Y337 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ACE P12821 2/20 0.32
▸ MME P08473 1/20 0.32
▸ CPA1 P15085 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL3362684 0.91 CTSS (0.42) PPARAPPARGCTSSKLK7KLK5
SCHEMBL3363737 0.90 PPARA (0.40) PPARAPPARGCTSSKLK7KLK5
SCHEMBL13113496 0.90 GRM5 (0.39) PPARAPPARGCTSSKLK7KLK5
SCHEMBL3362206 0.85 EPHX1 (0.39) KMT2AKDM4EMEN1GAASMN1; SMN2
SCHEMBL3364491 0.83 CTSS (0.38) PPARAPPARGCTSSKLK7KLK5
SCHEMBL3364495 0.83 CTSS (0.38) PPARAPPARGCTSSKLK7KLK5
SCHEMBL9069938 0.82 TSHR (0.39) CTSSKMT2AACEMMECPA1
SCHEMBL9069939 0.82 TSHR (0.39) CTSSKMT2AACEMMECPA1
SCHEMBL3363643 0.82 CTSS (0.38) PPARAPPARGCTSSKLK7KLK5
SCHEMBL3366434 0.82 CTSS (0.39) PPARAPPARGCTSSKLK7KLK5

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 PPARA 4863/4885PPARG 4882/4885CTSS 623/4885
US-20060058242-A1 Dipeptide derivatives ANPEP, ECE2, ECE1 PPARA 4773/4885PPARG 4878/4885CTSS 1029/4885
US-20040235754-A1 Dipeptide derivatives ANPEP, ECE1, ECE2 PPARA 4863/4885PPARG 4882/4885CTSS 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.