SCHEMBL8202071

SCHEMBL8202071

CC(C)COC(C)ONC(=O)c1ccc(N2CCC(CNCc3ccc(CN[C@H](C(=O)OC4CCCC4)C4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HDAC3 O15379 5/20 0.35
HDAC8 Q9BY41 4/20 0.35
ITGB3 P05106 6/20 0.34
ITGA2B P08514 5/20 0.34
PRSS1 P07477 5/20 0.34
PRSS2 P07478 5/20 0.34
PRSS3 P35030 5/20 0.34
F2 P00734 3/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
PLG P00747 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
F10 P00742 4/20 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
SCHEMBL8204583 0.93 OPRM1 (0.34) HDAC6OPRM1OPRD1OPRK1HDAC3
SCHEMBL13007352 0.92 HDAC3 (0.38) HDAC6HDAC3HDAC8ITGB3ITGA2B
SCHEMBL8206345 0.91 HDAC6 (0.40) HDAC6OPRM1OPRD1OPRK1HDAC3
SCHEMBL13007366 0.91 HDAC3 (0.36) HDAC6HDAC3HDAC8ITGB3ITGA2B
SCHEMBL8202087 0.89 HDAC6 (0.39) HDAC6HDAC3HDAC8ITGB3ITGB1
SCHEMBL28780389 0.85 HDAC6 (0.54) HDAC6OPRM1OPRD1OPRK1HDAC3
SCHEMBL28780382 0.85 HDAC6 (0.54) HDAC6OPRM1OPRD1OPRK1HDAC3
SCHEMBL8203576 0.85 HDAC6 (0.54) HDAC6OPRM1OPRD1OPRK1HDAC3
SCHEMBL8207131 0.84 ITGB3 (0.32) HDAC6HDAC3HDAC8ITGB3ITGA2B
SCHEMBL8205561 0.84 ITGB3 (0.37) HDAC6OPRM1OPRD1OPRK1HDAC3

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 23/4885OPRM1 1283/4885OPRD1 1840/4885

“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.