SCHEMBL13007366

SCHEMBL13007366

CC(C)COC(C)ONC(=O)c1ccc(N2CCC(CNCC3CCC(CN[C@H](C(=O)OC4CCCC4)C4CCCCC4)CC3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
KDM1A O60341 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMYD3 Q9H7B4 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32

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
SCHEMBL13007352 0.98 HDAC3 (0.38) HDAC3HDAC8ITGB3ITGA2BF2
SCHEMBL8207131 0.92 ITGB3 (0.32) HDAC3HDAC8ITGB3ITGA2BF2
SCHEMBL8202071 0.91 HDAC6 (0.38) HDAC3HDAC8ITGB3ITGA2BF2
SCHEMBL8195753 0.91 HDAC3 (0.38) HDAC3HDAC8ITGB3ITGA2BKDM1A
SCHEMBL13007355 0.88 HDAC3 (0.40) HDAC3HDAC8ITGB3ITGA2BKDM1A
SCHEMBL8203234 0.88 DGAT2 (0.37) HDAC3HDAC8KDM1AHDAC6
SCHEMBL8212256 0.87 HDAC3 (0.41) HDAC3HDAC8KDM1AHDAC6SMYD3
SCHEMBL8210058 0.85 HDAC6 (0.38) HDAC3HDAC8KDM1AHDAC6
SCHEMBL27784572 0.84 HDAC6 (0.46) HDAC3HDAC8ITGB3ITGA2BF2
SCHEMBL8202923 0.84 HDAC6 (0.46) HDAC3HDAC8ITGB3ITGA2BF2

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 4 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

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 HDAC3 13/4885HDAC8 20/4885ITGB3 2143/4885

“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.