SCHEMBL6403635

SCHEMBL6403635

CCCC[C@@H](C(=O)C(=O)N[C@H](C)c1ccccc1)N(C(=O)O)[C@H](Cc1nnc(-c2ccc(C(F)(F)F)cc2)o1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.67
CTSB P07858 9/20 0.67
CTSS P25774 9/20 0.67
CTSV O60911 8/20 0.67
CTSL P07711 6/20 0.57
ALDH1A1 P00352 1/20 0.43
CTSH P09668 1/20 0.39

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
SCHEMBL6403731 1.00 CTSK (0.67) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6403629 1.00 CTSK (0.67) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6403584 0.93 CTSK (0.65) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6405220 0.93 CTSK (0.65) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6407731 0.93 CTSK (0.65) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6403410 0.93 CTSK (0.66) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6403366 0.93 CTSK (0.66) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6409074 0.93 CTSK (0.66) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6402802 0.87 CTSK (0.66) CTSKCTSBCTSSCTSVCTSL
SCHEMBL6403665 0.87 CTSK (0.66) CTSKCTSBCTSSCTSVCTSL

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 1/4885CTSB 4/4885CTSS 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.