Sugi Predict

Sugi Predict / Compounds / SCHEMBL3365980

SCHEMBL3365980

SCHEMBL3365980

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.57
▸ CTSS P25774 5/20 0.54
▸ PPARG P37231 1/20 0.53
▸ KLK7 P49862 2/20 0.51
▸ KLK5 Q9Y337 2/20 0.51
▸ SYK P43405 1/20 0.49
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTSK P43235 3/20 0.41
▸ CTSL P07711 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ PTPN2 P17706 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ CDC25A P30304 1/20 0.40

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
SCHEMBL5247044 0.91 PPARA (0.59) PPARACTSSPPARGKLK7KLK5
SCHEMBL5247053 0.91 PPARA (0.59) PPARACTSSPPARGKLK7KLK5
SCHEMBL5247747 0.89 PPARA (0.71) PPARACTSSPPARGKLK7KLK5
SCHEMBL5227731 0.89 PPARA (0.71) PPARACTSSPPARGKLK7KLK5
SCHEMBL3365729 0.83 CTSS (0.43) PPARACTSSPPARGKLK7KLK5
SCHEMBL3362452 0.83 PPARG (0.57) PPARAPPARG
SCHEMBL8696199 0.83 CTSS (0.53) PPARACTSSPPARGSYKCTSK
SCHEMBL8696194 0.83 CTSS (0.53) PPARACTSSPPARGSYKCTSK
SCHEMBL14123544 0.83 PPARA (0.62) PPARACTSSPPARGKLK7KLK5
SCHEMBL7518373 0.82 PPARA (0.74) PPARACTSSPPARGKLK7KLK5

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