SCHEMBL6218643

SCHEMBL6218643

CC(C)(C)OC(=O)N[C@@H](C#N)COCc1cccc(C(=O)NCCC#N)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.51
CTSB P07858 14/20 0.49
CTSL P07711 9/20 0.46
CTSK P43235 6/20 0.46
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL6218646 1.00 CTSS (0.51) CTSSCTSBCTSLCTSKPPARA
SCHEMBL6216747 0.85 CTSB (0.61) CTSSCTSBCTSLCTSKPPARA
SCHEMBL6216751 0.85 CTSB (0.61) CTSSCTSBCTSLCTSKPPARA
SCHEMBL7009541 0.85 CTSB (0.50) CTSSCTSBCTSLCTSK
SCHEMBL31095613 0.80 CTSS (0.68) CTSSCTSBCTSLCTSKPPARA
SCHEMBL12432975 0.80 CTSS (0.68) CTSSCTSBCTSLCTSKPPARA
SCHEMBL6218326 0.79 CTSB (0.47) CTSSCTSBCTSLCTSKPPARA
SCHEMBL6213718 0.79 CTSB (0.47) CTSSCTSBCTSLCTSKPPARA
SCHEMBL6215079 0.74 GHSR (0.49) CTSSCTSBCTSLCTSK
SCHEMBL6215073 0.74 GHSR (0.49) CTSSCTSBCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (1 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-20030158256-A1 N-substituted peptidyl nitriles as cysteine cathepsin inhibitors CTSS, CTSV, CTSF CTSS 1/4885CTSB 4/4885CTSL 9/4885

“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.