SCHEMBL4907439

SCHEMBL4907439

N#CC(C(=O)[C@H](CCCCC1(c2nc3ccccc3s2)CCCC1)NC(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL6645916 0.80 CTSK (0.42) CTSLCTSSCTSBCTSK
SCHEMBL6645914 0.80 CTSK (0.42) CTSLCTSSCTSBCTSK
SCHEMBL4904915 0.77 CTSK (0.38) CTSK
SCHEMBL4908344 0.77 CTSK (0.40) CTSLCTSSCTSBCTSK
SCHEMBL4897214 0.75 CTSK (0.40) CTSLCTSSCTSBCTSK
SCHEMBL4907434 0.72 SLC6A2 (0.33) USP30
SCHEMBL5636936 0.71 CTSL (0.42) CTSLCTSSCTSBCTSK
SCHEMBL5636940 0.71 CTSL (0.42) CTSLCTSSCTSBCTSK
SCHEMBL4907443 0.70 MAPT (0.33) CTSLCTSSCTSBCTSK
SCHEMBL6409474 0.70 CTSK (0.34) CTSLCTSSCTSBCTSK

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 5 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
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO 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 CTSL 12/4885CTSS 2/4885CTSB 5/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSL 12/4885CTSS 2/4885CTSB 5/4885

“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.