SCHEMBL6410780

SCHEMBL6410780

CCCC[C@@H](C(=O)C(=O)Nc1cc[nH]n1)N(C(=O)O)[C@H](Cc1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.50
CTSV O60911 13/20 0.50
CTSS P25774 13/20 0.50
CTSB P07858 12/20 0.50
CTSL P07711 9/20 0.50
DDX3X O00571 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL6410774 1.00 CTSK (0.50) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6403629 0.83 CTSK (0.67) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6403635 0.83 CTSK (0.67) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6403731 0.83 CTSK (0.67) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6410782 0.80 CTSK (0.42) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6402564 0.80 CTSK (0.52) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6403443 0.80 CTSK (0.52) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6402557 0.80 CTSK (0.52) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6410821 0.80 CTSK (0.67) CTSKCTSVCTSSCTSBCTSL
SCHEMBL6410818 0.80 CTSK (0.67) CTSKCTSVCTSSCTSBCTSL

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 2 patents. 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 claimed
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 1/4885CTSV 10/4885CTSS 6/4885

“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.