SCHEMBL4907367

SCHEMBL4907367

O=C[C@H](CCCCCc1ccccc1)NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.57
CTSL P07711 4/20 0.49
CTSB P07858 4/20 0.49
CTSH P09668 2/20 0.49
ACE P12821 1/20 0.49
TRPA1 O75762 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CAPN1 P07384 1/20 0.47
ALOX5 P09917 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL23201280 0.87 ACE (0.57) CTSKCTSLCTSBCTSHACE
SCHEMBL23201281 0.87 ACE (0.57) CTSKCTSLCTSBCTSHACE
SCHEMBL6463762 0.87 ACE (0.57) CTSKCTSLCTSBCTSHACE
SCHEMBL28099192 0.80 SIGMAR1 (0.47) CTSKACETRPA1MAPTRXFP1
SCHEMBL7295283 0.79 CTSK (0.85) CTSKCTSLCTSBCTSH
SCHEMBL7487798 0.78 TRPA1 (0.53) TRPA1MAPTRXFP1ALOX5HDAC1
SCHEMBL17865652 0.77 CAPN1 (0.61) CTSBACECAPN1
SCHEMBL2369340 0.77 CAPN1 (0.61) CTSBACECAPN1
SCHEMBL3292711 0.77 CAPN1 (0.61) CTSBACECAPN1
SCHEMBL4906710 0.77 TRPA1 (0.49) TRPA1MAPTRXFP1ALOX5HDAC1

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 4 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 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 (3 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 12/4885CTSB 4/4885
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.