SCHEMBL4906606

SCHEMBL4906606

CCCC[C@@H](C(O)C(=O)N[C@H](C)c1ccccc1)N(CC1(COc2ccnc(N3CCN(c4ccccc4)CC3)n2)CCC1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.64
ACACB O00763 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL4907491 0.95 CTSK (0.64) CTSKACACBCTSLCTSBCTSS
SCHEMBL4899347 0.94 CTSK (0.65) CTSKACACB
SCHEMBL4900912 0.88 CTSK (0.61) CTSKCTSLCTSBCTSS
SCHEMBL4904030 0.88 CTSK (0.61) CTSKCTSLCTSBCTSS
SCHEMBL4905736 0.87 CTSK (0.73) CTSKCTSLCTSBCTSS
SCHEMBL14260286 0.85 CTSK (0.77) CTSKCTSLCTSBCTSS
SCHEMBL4904858 0.83 CTSK (0.58) CTSKCTSLCTSBCTSS
SCHEMBL4910220 0.82 CTSK (0.73) CTSKCTSLCTSBCTSS
SCHEMBL4910161 0.81 CTSK (0.73) CTSKCTSLCTSBCTSS
SCHEMBL5636933 0.81 CTSK (0.63) CTSKACACB

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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885ACACB 370/4885CTSL 12/4885

“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.