SCHEMBL6216751

SCHEMBL6216751

CC(C)(C)OC(=O)NC(C#N)COCc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSB P07858 17/20 0.61
CTSS P25774 9/20 0.61
CTSL P07711 8/20 0.61
CTSK P43235 2/20 0.56
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50

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
SCHEMBL6216747 1.00 CTSB (0.61) CTSBCTSSCTSLCTSKPPARA
SCHEMBL12432975 0.88 CTSS (0.68) CTSBCTSSCTSLCTSKPPARA
SCHEMBL31095613 0.88 CTSS (0.68) CTSBCTSSCTSLCTSKPPARA
SCHEMBL6218646 0.85 CTSS (0.51) CTSBCTSSCTSLCTSKPPARA
SCHEMBL6218643 0.85 CTSS (0.51) CTSBCTSSCTSLCTSKPPARA
SCHEMBL6213718 0.85 CTSB (0.47) CTSBCTSSCTSLCTSKPPARA
SCHEMBL6218326 0.85 CTSB (0.47) CTSBCTSSCTSLCTSKPPARA
SCHEMBL3629077 0.77 SLC7A5 (0.52) CTSBCTSSCTSLCTSK
SCHEMBL8438333 0.77 PPARA (0.63) CTSBCTSSCTSLCTSKPPARA
SCHEMBL3992230 0.77 SLC7A5 (0.52) CTSBCTSSCTSLCTSK

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 CTSB 4/4885CTSS 1/4885CTSL 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.