SCHEMBL5129671

SCHEMBL5129671

COC(=O)C(CCCCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
CTSS P25774 3/20 0.47
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
ITGB3 P05106 8/20 0.45
ITGA2B P08514 8/20 0.45
HDAC6 Q9UBN7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.41

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
SCHEMBL2070869 0.89 CTSK (0.49) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL5317755 0.89 CTSK (0.46) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL21853149 0.89 CTSK (0.46) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL21853151 0.89 CTSK (0.46) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL2074722 0.89 CTSK (0.46) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL19668435 0.88 CTSK (0.49) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL31072330 0.88 CTSK (0.49) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL4409723 0.88 CTSK (0.49) CTSKCTSSHDAC4HDAC1ITGB3
SCHEMBL2306568 0.88 CTSK (0.47) CTSKCTSSITGB3ITGA2B
SCHEMBL2398972 0.88 CTSK (0.47) CTSKCTSSITGB3ITGA2B

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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 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 (1 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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 CTSK 897/4885CTSS 868/4885HDAC4 3/4885

“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.