SCHEMBL4904330

SCHEMBL4904330

CCCCC(CC1(Cc2nc(C)cs2)CCC1)(NC(=O)O)C(O)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CTSK P43235 17/20 0.39
CTSL P07711 3/20 0.37
CTSS P25774 3/20 0.37
CTSB P07858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4910259 0.92 CTSK (0.46) POLBCTSKCTSLCTSSCTSB
SCHEMBL4905320 0.92 CTSK (0.46) POLBCTSKCTSLCTSSCTSB
SCHEMBL4898937 0.92 CTSK (0.47) POLBCTSKCTSLCTSSCTSB
SCHEMBL4907207 0.87 CTSK (0.49) POLBCTSKCTSLCTSSCTSB
SCHEMBL4907792 0.85 CTSK (0.49) POLBCTSKCTSLCTSSCTSB
SCHEMBL4906122 0.84 CTSK (0.41) CTSKCTSLCTSSCTSB
SCHEMBL4907511 0.82 CTSK (0.50) POLBCTSKCTSLCTSSCTSB
SCHEMBL4906184 0.81 CTSK (0.56) CTSKCTSLCTSSCTSB
SCHEMBL4908109 0.81 CTSK (0.51) POLBCTSKCTSLCTSSCTSB
SCHEMBL4904863 0.81 CTSK (0.54) POLBCTSKCTSLCTSSCTSB

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 POLB 2328/4885CTSK 1/4885CTSL 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.