SCHEMBL6356870

SCHEMBL6356870

CC(C)C[C@H](N)C(=O)N[C@H]1CCN(C)N(C(=O)c2ccccn2)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.48
CTSL P07711 14/20 0.48
CTSS P25774 13/20 0.48
CTSB P07858 5/20 0.41
CTSV O60911 2/20 0.40

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
SCHEMBL6355388 0.82 CTSK (0.39) CTSKCTSLCTSS
SCHEMBL6356868 0.81 CTSK (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6258945 0.77 CTSL (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL21067433 0.74 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4171722 0.74 CTSK (0.68) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4323805 0.72 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4310385 0.72 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312951 0.72 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL3934296 0.72 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4316429 0.72 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide JEONG JAE U 2005-11-17 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 (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-20050256105-A1 Cysteine protease and serine protease inhibitors; arthritis, parasite infections, osteoporosis, gingivitis; e.g. benzofuran-2-carboxylic acid [(S)-1-((S)-1-cyclohexylmethyl-3,7-dioxo-azepan-4-ylcarbamoyl)-3-methyl-butyl]-amide PRSS1, SPINT2, CTRL CTSK 39/4885CTSL 37/4885CTSS 7/4885

“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.