SCHEMBL8204399

SCHEMBL8204399

CC(C)COC(C)ONC(=O)c1cnc(N2CCC(N[C@@H](CC(C)C)C(=O)O)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.43
HDAC1 Q13547 8/20 0.43
HDAC3 O15379 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
KDM1A O60341 6/20 0.38
HCK P08631 2/20 0.37
FLT3 P36888 2/20 0.37
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
GAA P10253 1/20 0.35
TIPARP Q7Z3E1 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
DNMT1 P26358 1/20 0.34

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
SCHEMBL8202007 0.88 DGAT2 (0.37) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL13007256 0.87 DGAT2 (0.39) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL3767967 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL15906821 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8203628 0.82 KDM1A (0.42) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL3778383 0.81 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8194298 0.79 DGAT2 (0.35) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8203640 0.79 DGAT2 (0.39) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8195710 0.76 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL16517896 0.76 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC4HDAC7

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-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
EP-2077999-B1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD (GB) 2014-07-30 EP disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 HDAC6 23/4885HDAC1 2/4885HDAC3 13/4885

“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.