SCHEMBL2910145

SCHEMBL2910145

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.73
CTSL P07711 7/20 0.73
CTSS P25774 4/20 0.73
CAPN1 P07384 2/20 0.66
CTSB P07858 3/20 0.65

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
SCHEMBL10909140 0.95 CTSK (0.70) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL10909138 0.95 CTSK (0.70) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL8823918 0.92 CTSK (0.77) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL20770085 0.92 CTSK (0.77) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL4872585 0.92 CTSK (0.77) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL25406813 0.92 CTSK (0.77) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL14148467 0.92 CTSK (0.77) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL2930262 0.92 CTSK (0.77) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL2914760 0.91 CTSK (0.70) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL7306390 0.91 CTSK (0.70) CTSKCTSLCTSSCAPN1CTSB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028942-B1 DIPEPTIDE NITRILES NOVARTIS AG (CH) 2010-09-01 EP disclosed
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 CTSK 4/4885CTSL 1/4885CTSS 3/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS CTSK 4/4885CTSL 2/4885CTSS 3/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB CTSK 6/4885CTSL 1/4885CTSS 2/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CTSK 6/4885CTSL 1/4885CTSS 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.