SCHEMBL4907310

SCHEMBL4907310

CCCC[C@](C)(NC(=O)OC1(Cc2ccccc2)CCCC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.57
CTSL P07711 7/20 0.57
CTSB P07858 5/20 0.57
CTSS P25774 3/20 0.53
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ACE P12821 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL4903969 0.99 CTSK (0.58) CTSKCTSLCTSBCTSSITGB3
SCHEMBL4901597 0.98 CTSK (0.57) CTSKCTSLCTSBCTSSITGB3
SCHEMBL4897109 0.78 CTSK (0.70) CTSKCTSLCTSBCTSS
SCHEMBL6645850 0.76 CTSK (0.73) CTSKCTSLCTSBCTSS
SCHEMBL28086104 0.76 ITGB3 (0.51) CTSLCTSBCTSSITGB3ITGA2B
SCHEMBL4908421 0.76 NPC1 (0.41) L3MBTL1ALDH1A1
SCHEMBL6647428 0.76 CTSK (0.74) CTSKCTSLCTSBCTSS
SCHEMBL4907308 0.76 CTSK (0.72) CTSKCTSLCTSBCTSS
SCHEMBL4903966 0.75 CTSK (0.72) CTSKCTSLCTSBCTSS
SCHEMBL5636392 0.74 CTSK (0.73) CTSKCTSLCTSBCTSS

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 12/4885CTSB 5/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885CTSL 12/4885CTSB 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.