SCHEMBL4908344

SCHEMBL4908344

N#CC(C(=O)[C@H](CCCCC1(Cc2ccccc2)CCCC1)NC(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.40
CTSL P07711 7/20 0.40
CTSS P25774 5/20 0.40
CTSB P07858 4/20 0.39
F2 P00734 2/20 0.32
DPP4 P27487 2/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 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
SCHEMBL4908431 0.99 CTSK (0.40) CTSKCTSLCTSSCTSBF2
SCHEMBL4897214 0.98 CTSK (0.40) CTSKCTSLCTSSCTSBF2
SCHEMBL5636936 0.77 CTSL (0.42) CTSKCTSLCTSSCTSB
SCHEMBL5636940 0.77 CTSL (0.42) CTSKCTSLCTSSCTSB
SCHEMBL4907439 0.77 CTSL (0.34) CTSKCTSLCTSSCTSB
SCHEMBL6646684 0.76 CTSK (0.64) CTSKCTSLCTSSCTSB
SCHEMBL6409474 0.76 CTSK (0.34) CTSKCTSLCTSSCTSB
SCHEMBL4902227 0.76 CTSK (0.67) CTSKCTSLCTSSCTSB
SCHEMBL6647590 0.76 CTSK (0.65) CTSKCTSLCTSSCTSB
SCHEMBL4899308 0.75 CTSK (0.66) CTSKCTSLCTSSCTSB

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 3 patents. 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
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 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 (2 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE CTSK 1/4885CTSL 12/4885CTSS 2/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885CTSL 12/4885CTSS 2/4885

“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.