SCHEMBL4979372

SCHEMBL4979372

C=CCOC(=O)c1cccc(COC[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.60
PPARG P37231 5/20 0.60
CTSS P25774 2/20 0.49
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
ACE P12821 1/20 0.44
PPARD Q03181 2/20 0.43
SLC7A5 Q01650 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA2B P08514 1/20 0.42
ITGB5 P18084 1/20 0.42
PTPN1 P18031 4/20 0.41
CDC25B P30305 4/20 0.41
PTPN2 P17706 3/20 0.41
CDC25A P30304 2/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
RAB9A P51151 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
SCHEMBL27519734 1.00 PPARA (0.60) PPARAPPARGCTSSKLK7KLK5
SCHEMBL4981310 0.92 PPARA (0.49) PPARAPPARGCTSSKLK7KLK5
SCHEMBL27521040 0.87 PPARA (0.68) PPARAPPARGCTSSKLK7KLK5
SCHEMBL4980018 0.87 PPARA (0.68) PPARAPPARGCTSSKLK7KLK5
SCHEMBL6218326 0.85 CTSB (0.47) PPARAPPARGCTSSADRB2ADRB1
SCHEMBL6213718 0.85 CTSB (0.47) PPARAPPARGCTSSADRB2ADRB1
SCHEMBL4978214 0.83 CTSB (0.48) PPARAPPARGCTSSCTSBCTSK
SCHEMBL4981307 0.82 SLC7A5 (0.44) PPARAPPARGCTSSKLK7KLK5
SCHEMBL27546125 0.82 SLC7A5 (0.44) PPARAPPARGCTSSKLK7KLK5
SCHEMBL8697793 0.82 PPARA (0.65) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
CN-1273444-C Dipeptide nitriles NOVARTIS AG (CH) 2006-09-06 CN disclosed
EP-1283825-B1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS NOVARTIS AG (CH) 2005-09-14 EP disclosed
US-6812237-B2 (ARYLAMINOACEAMIDO)ACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2004-11-02 US disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-20030158256-A1 N-substituted peptidyl nitriles as cysteine cathepsin inhibitors NOVARTIS AG (CH) 2003-08-21 US disclosed
EP-1283825-A1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS Novartis AG (CH) 2003-02-19 EP disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US disclosed
WO-2001087828-A1 N-SUBSTITUTED PEPTIDYL NITRILES AS CYSTEINE CATHEPSIN INHIBITORS NOVARTIS AG (CH) 2001-11-22 WO disclosed
CN-1278244-A Dipeptide nitriles NOVARTIS AG (CH) 2000-12-27 CN disclosed
EP-1028942-A2 DIPEPTIDE NITRILES Novartis AG (CH) 2000-08-23 EP disclosed
WO-1999024460-A2 DIPEPTIDE NITRILES NOVARTIS AG (CH) 1999-05-20 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 (5 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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS PPARA 3269/4885PPARG 2990/4885CTSS 3/4885
US-20030158256-A1 N-substituted peptidyl nitriles as cysteine cathepsin inhibitors CTSS, CTSV, CTSF PPARA 3244/4885PPARG 2607/4885CTSS 1/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS PPARA 3269/4885PPARG 3093/4885CTSS 3/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB PPARA 3152/4885PPARG 2902/4885CTSS 2/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB PPARA 3152/4885PPARG 2902/4885CTSS 2/4885

“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.