SCHEMBL6409474

SCHEMBL6409474

CC(C)(C)CCCCC(NC(=O)O)C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.34
CTSS P25774 5/20 0.32
CTSL P07711 4/20 0.32
CTSB P07858 2/20 0.32
PYGL P06737 1/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6405796 1.00 CTSK (0.34) CTSKCTSSCTSLCTSBPYGL
SCHEMBL5636940 0.86 CTSL (0.42) CTSKCTSSCTSLCTSB
SCHEMBL5636936 0.86 CTSL (0.42) CTSKCTSSCTSLCTSB
SCHEMBL6605332 0.79 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL4908344 0.76 CTSK (0.40) CTSKCTSSCTSLCTSB
SCHEMBL3905825 0.70 CTSS (0.47) CTSKCTSSCTSLCTSB
SCHEMBL25276966 0.69 HTT (0.40) LMNA
SCHEMBL25276967 0.69 HTT (0.40) LMNA
SCHEMBL14583259 0.68 CTSS (0.65) CTSKCTSSCTSLCTSB
SCHEMBL6650575 0.67 CTSK (0.64) CTSKCTSSCTSLCTSB

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 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 (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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSS 6/4885CTSL 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.