SCHEMBL4998308

SCHEMBL4998308

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.58
▸ CTSS P25774 10/20 0.58
▸ CTSL P07711 4/20 0.58
▸ CTSB P07858 2/20 0.58
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ AAK1 Q2M2I8 1/20 0.44
▸ CAPN1 P07384 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL2910891 1.00 CTSK (0.58) CTSKCTSSCTSLCTSBCA1
SCHEMBL13263256 0.89 CTSK (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL3819580 0.85 CTSK (0.52) CTSKCTSSCTSLCTSBCA1
SCHEMBL2401238 0.85 CTSK (0.52) CTSKCTSSCTSLCTSBCA1
SCHEMBL25360344 0.83 CTSK (0.51) CTSKCTSSCTSLCTSBCA1
SCHEMBL25360348 0.83 CTSK (0.51) CTSKCTSSCTSLCTSBCA1
SCHEMBL13293164 0.83 CTSS (0.46) CTSKCTSSCTSLCTSBCA1
SCHEMBL24981559 0.83 CTSK (0.46) CTSKCTSSCTSLCTSBCA1
SCHEMBL5958657 0.83 CTSK (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL15259348 0.83 CTSK (0.56) CTSKCTSSCTSLCTSBCA1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB CTSK 6/4885CTSS 2/4885CTSL 1/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB CTSK 6/4885CTSS 2/4885CTSL 1/4885

“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.

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