SCHEMBL8206345

SCHEMBL8206345

CC(C)COC(C)ONC(=O)c1ccc(N2CCC(CNCc3ccc(CN[C@H](C(=O)O)C4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
ITGB3 P05106 6/20 0.38
ITGB1 P05556 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA5 P08648 2/20 0.38
HDAC3 O15379 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ITGA2B P08514 5/20 0.35
F10 P00742 4/20 0.35

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
SCHEMBL8205561 0.92 ITGB3 (0.37) HDAC6ITGB3ITGB1ITGAVITGA5
SCHEMBL13007355 0.91 HDAC3 (0.40) HDAC6ITGB3ITGB1ITGAVITGA5
SCHEMBL8202071 0.91 HDAC6 (0.38) HDAC6ITGB3ITGB1ITGAVITGA5
SCHEMBL8195753 0.91 HDAC3 (0.38) HDAC6ITGB3ITGB1ITGAVITGA5
SCHEMBL8194284 0.89 HDAC6 (0.40) HDAC6ITGB3ITGB1ITGAVITGA5
SCHEMBL8212256 0.86 HDAC3 (0.41) HDAC6HDAC3HDAC8ADRB2ADRB1
SCHEMBL8204583 0.84 OPRM1 (0.34) HDAC6ITGB3ITGB1ITGAVITGA5
SCHEMBL3772418 0.83 HDAC6 (0.59) HDAC6ITGB3ITGB1ITGAVITGA5
SCHEMBL8203124 0.83 HDAC3 (0.34) HDAC6HDAC3HDAC8F10ADRB2
SCHEMBL13007352 0.82 HDAC3 (0.38) HDAC6ITGB3HDAC3HDAC8ITGA2B

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 5 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
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 23/4885ITGB3 2143/4885ITGB1 764/4885

“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.