SCHEMBL8201379

SCHEMBL8201379

O=C(/C=C/c1cccc(S(=O)(=O)N[C@H](C(=O)OC2CCCC2)c2ccccc2)c1)NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.53
HDAC3 O15379 16/20 0.53
HDAC4 P56524 16/20 0.53
HDAC8 Q9BY41 16/20 0.53
HDAC6 Q9UBN7 16/20 0.53
HDAC7 Q8WUI4 15/20 0.53
HDAC2 Q92769 15/20 0.53
HDAC10 Q969S8 15/20 0.53
HDAC11 Q96DB2 15/20 0.53
HDAC9 Q9UKV0 15/20 0.53
HDAC5 Q9UQL6 15/20 0.53
BRD4 O60885 1/20 0.53
ESR1 P03372 1/20 0.53
PTGS1 P23219 1/20 0.53
PDE4A P27815 1/20 0.53
PIK3CA P42336 1/20 0.53
HTR6 P50406 1/20 0.53
PDE4D Q08499 1/20 0.53
ASPH Q12797 1/20 0.53
MEF2D Q14814 1/20 0.44

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
SCHEMBL1410165 0.92 HDAC8 (0.41) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410163 0.92 HDAC8 (0.41) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1411234 0.89 NR1H4 (0.43) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL3456920 0.84 HDAC1 (0.67) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL3456927 0.84 HDAC1 (0.67) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL12810078 0.84 MMP2 (0.39) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1411235 0.82 MMP2 (0.40) HDAC8HDAC6
SCHEMBL1411237 0.82 MMP2 (0.40) HDAC8HDAC6
SCHEMBL1410839 0.82 HDAC4 (0.48) HDAC1HDAC3HDAC4HDAC8HDAC6
SCHEMBL1410838 0.82 HDAC4 (0.48) HDAC1HDAC3HDAC4HDAC8HDAC6

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 12 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-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-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 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 (4 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 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 5/4885HDAC4 4/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC4 6/4885

“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.