SCHEMBL4904322

SCHEMBL4904322

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CTSK P43235 19/20 0.40
CTSL P07711 4/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 1/20 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
SCHEMBL4910242 0.91 CTSK (0.49) POLBCTSKCTSLCTSSCTSB
SCHEMBL4905310 0.91 CTSK (0.49) POLBCTSKCTSLCTSSCTSB
SCHEMBL4898928 0.90 CTSK (0.49) POLBCTSKCTSLCTSSCTSB
SCHEMBL4906112 0.86 CTSK (0.48) CTSKCTSLCTSSCTSB
SCHEMBL4896822 0.85 CTSK (0.53) POLBCTSKCTSLCTSSCTSB
SCHEMBL4907786 0.84 CTSK (0.53) POLBCTSKCTSLCTSSCTSB
SCHEMBL4907506 0.81 CTSK (0.54) POLBCTSKCTSLCTSSCTSB
SCHEMBL4906171 0.80 CTSK (0.60) POLBCTSKCTSLCTSSCTSB
SCHEMBL4908100 0.80 CTSK (0.55) POLBCTSKCTSLCTSSCTSB
SCHEMBL4904858 0.79 CTSK (0.58) 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.