SCHEMBL4409723

SCHEMBL4409723

CC(C)(C)OC(=O)N[C@@H](CCCCCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.49
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
FOLH1 Q04609 4/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL19668435 1.00 CTSK (0.49) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL31072330 1.00 CTSK (0.49) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL10772512 0.98 CTSK (0.50) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL3432850 0.94 CTSK (0.51) CTSKCTSSALDH1A1TSHRITGB3
SCHEMBL3431559 0.94 CTSK (0.51) CTSKCTSSALDH1A1TSHRITGB3
SCHEMBL6036315 0.94 CTSK (0.51) CTSKCTSSALDH1A1TSHRITGB3
SCHEMBL6745774 0.91 CTSK (0.56) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL14150791 0.91 CTSK (0.56) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL2075224 0.90 CTSK (0.48) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL2074961 0.90 CTSK (0.50) CTSKCTSSHDAC4HDAC1ALDH1A1

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
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 EP disclosed
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 CN disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
CN-101115742-A Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2008-01-30 CN disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 CTSK 1045/4885CTSS 1065/4885HDAC4 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.