SCHEMBL4980018

SCHEMBL4980018

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.68
PPARG P37231 4/20 0.68
CTSS P25774 1/20 0.55
ACE P12821 1/20 0.49
PPARD Q03181 2/20 0.48
SLC7A5 Q01650 2/20 0.48
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
PTPN1 P18031 4/20 0.46
CDC25B P30305 4/20 0.46
PTPN2 P17706 3/20 0.46
CDC25A P30304 2/20 0.46
FOLH1 Q04609 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
CTSB P07858 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44

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
SCHEMBL27521040 1.00 PPARA (0.68) PPARAPPARGCTSSACEPPARD
SCHEMBL4982693 0.90 PPARA (0.55) PPARAPPARGCTSSACESLC7A5
SCHEMBL27519734 0.87 PPARA (0.60) PPARAPPARGCTSSACEPPARD
SCHEMBL4979372 0.87 PPARA (0.60) PPARAPPARGCTSSACEPPARD
SCHEMBL1196766 0.86 ACE (0.61) PPARAPPARGCTSSACEPPARD
SCHEMBL1196768 0.86 ACE (0.61) PPARAPPARGCTSSACEPPARD
SCHEMBL14058124 0.86 PPARA (0.69) PPARAPPARGCTSSACEKLK7
SCHEMBL14058126 0.86 PPARA (0.69) PPARAPPARGCTSSACEKLK7
SCHEMBL14056985 0.85 PPARA (0.71) PPARAPPARGCTSSACEPPARD
SCHEMBL14056987 0.85 PPARA (0.71) PPARAPPARGCTSSACEPPARD

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
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
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-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US 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 (4 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-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.