SCHEMBL6403780

SCHEMBL6403780

CCCC[C@@H](C(O)C(=O)Nc1ccn[nH]1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.44
FFAR2 O15552 1/20 0.38
PKM P14618 1/20 0.38
CTSL P07711 6/20 0.35
CTSS P25774 6/20 0.35
CTSV O60911 5/20 0.34
CTSB P07858 5/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL6406194 1.00 CTSK (0.44) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6405409 1.00 CTSK (0.44) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6403990 0.79 CYP2C9 (0.48) CTSKFFAR2PKMTSHR
SCHEMBL6408315 0.79 CYP2C9 (0.48) CTSKFFAR2PKMTSHR
SCHEMBL6404507 0.79 HTT (0.46) CTSKTSHR
SCHEMBL6406303 0.79 HTT (0.46) CTSKTSHR
SCHEMBL6402688 0.79 CYP2C9 (0.48) CTSKFFAR2PKMTSHR
SCHEMBL6406972 0.77 CTSK (0.47) CTSKFFAR2PKMCTSLCTSS
SCHEMBL6404585 0.77 CTSK (0.38) CTSKFFAR2CTSLCTSSCTSV
SCHEMBL6402786 0.77 CTSK (0.38) CTSKFFAR2CTSLCTSSCTSV

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 1/4885FFAR2 1944/4885PKM 686/4885

“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.