SCHEMBL4982270

SCHEMBL4982270

C=CCOC(=O)c1cccc(COC[C@H](C#N)NC(=O)[C@@H](N)Cc2cccc(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSB P07858 20/20 0.58
CTSL P07711 9/20 0.58
CTSS P25774 9/20 0.58
CTSK P43235 2/20 0.54

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
SCHEMBL4982266 1.00 CTSB (0.58) CTSBCTSLCTSSCTSK
Hydrochloric Acid SCHEMBL4980175 0.99 CTSB (0.58) CTSBCTSLCTSSCTSK
Hydrochloric Acid SCHEMBL6809685 0.99 CTSB (0.58) CTSBCTSLCTSSCTSK
SCHEMBL4982267 0.87 CTSB (0.54) CTSBCTSLCTSSCTSK
Hydrochloric Acid SCHEMBL4980180 0.86 CTSB (0.54) CTSBCTSLCTSSCTSK
SCHEMBL6213718 0.81 CTSB (0.47) CTSBCTSLCTSSCTSK
SCHEMBL6218326 0.81 CTSB (0.47) CTSBCTSLCTSSCTSK
SCHEMBL6217373 0.81 CTSB (0.46) CTSBCTSLCTSSCTSK
SCHEMBL6214227 0.79 CTSB (0.47) CTSBCTSLCTSSCTSK
SCHEMBL4978315 0.79 SLC7A5 (0.41) CTSBCTSLCTSSCTSK

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
US-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US 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

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 CTSB 5/4885CTSL 1/4885CTSS 3/4885
US-20030158256-A1 N-substituted peptidyl nitriles as cysteine cathepsin inhibitors CTSS, CTSV, CTSF CTSB 4/4885CTSL 9/4885CTSS 1/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS CTSB 5/4885CTSL 2/4885CTSS 3/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB CTSB 3/4885CTSL 1/4885CTSS 2/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CTSB 3/4885CTSL 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.