Sugi Predict

Sugi Predict / Compounds / SCHEMBL3457972

SCHEMBL3457972

SCHEMBL3457972

CC(C)COC(C)ONC(=O)C=Cc1cccc(CNCC2CCC(CN[C@H](C(=O)O)C3CCCCC3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 14/20 0.39
▸ HDAC3 O15379 4/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC5 Q9UQL6 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MEF2D Q14814 11/20 0.38
▸ EP300 Q09472 4/20 0.38
▸ HDAC2 Q92769 2/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL3457968 1.00 HDAC4 (0.39) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL15135801 1.00 HDAC4 (0.39) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL3457267 0.91 HDAC4 (0.40) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL3457262 0.91 HDAC4 (0.40) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL12810193 0.91 HDAC4 (0.40) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL3457484 0.91 HDAC4 (0.40) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL3457495 0.91 HDAC4 (0.40) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1410872 0.86 HDAC4 (0.36) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1410874 0.84 HDAC4 (0.39) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1410868 0.84 HDAC4 (0.39) HDAC4HDAC3HDAC1HDAC8HDAC6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 — — EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 — — US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 — — US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 — — US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 — — US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 — — US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 — — 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 (3 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885HDAC3 2/4885HDAC1 1/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885HDAC3 2/4885HDAC1 1/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC4 4/4885HDAC3 5/4885HDAC1 1/4885

“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.