SCHEMBL4819332

SCHEMBL4819332

CNC(=O)NCCCCC(NC(=O)O)C(=O)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.59
EPHX2 P34913 2/20 0.50
CASR P41180 1/20 0.50
CTSL P07711 3/20 0.48
CTSS P25774 3/20 0.48
CTSB P07858 1/20 0.48
CTSH P09668 1/20 0.48
CTSV O60911 2/20 0.47

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
SCHEMBL4819313 1.00 CTSK (0.59) CTSKEPHX2CASRCTSLCTSS
SCHEMBL5637804 0.82 CTSK (0.72) CTSKCTSLCTSSCTSBCTSH
SCHEMBL4813599 0.82 CTSK (0.72) CTSKCTSLCTSSCTSBCTSH
SCHEMBL4813617 0.82 CTSK (0.72) CTSKCTSLCTSSCTSBCTSH
SCHEMBL4813612 0.82 CTSK (0.72) CTSKCTSLCTSSCTSBCTSH
SCHEMBL6488429 0.79 CTSK (0.64) CTSKCTSLCTSS
SCHEMBL6488436 0.79 CTSK (0.64) CTSKCTSLCTSS
SCHEMBL4817847 0.79 EPHX2 (0.49) CTSKEPHX2CASR
SCHEMBL8356928 0.79 CTSK (0.79) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14260226 0.76 CTSK (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US claimed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US claimed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US claimed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US claimed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 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 1/4885EPHX2 2447/4885CASR 2818/4885
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD CTSK 1/4885EPHX2 2408/4885CASR 1463/4885

“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.