SCHEMBL1410165

SCHEMBL1410165

O=C(O)C=Cc1cccc(S(=O)(=O)N[C@H](C(=O)OC2CCCC2)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC4 P56524 7/20 0.41
HDAC3 O15379 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC7 Q8WUI4 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC10 Q969S8 6/20 0.41
HDAC11 Q96DB2 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
HDAC5 Q9UQL6 6/20 0.41
BRD4 O60885 1/20 0.41
ESR1 P03372 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
PIK3CA P42336 1/20 0.41
HTR6 P50406 1/20 0.41
PDE4D Q08499 1/20 0.41
ASPH Q12797 1/20 0.41
MMP2 P08253 2/20 0.39

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
SCHEMBL1410163 1.00 HDAC8 (0.41) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL8201379 0.92 HDAC1 (0.53) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL1411234 0.92 NR1H4 (0.43) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL1411237 0.85 MMP2 (0.40) HDAC8HDAC6MMP2MMP9ANPEP
SCHEMBL1411235 0.85 MMP2 (0.40) HDAC8HDAC6MMP2MMP9ANPEP
SCHEMBL12810078 0.83 MMP2 (0.39) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL19723055 0.80 MMP2 (0.41) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL1403094 0.77 HDAC1 (0.52) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL1403093 0.77 HDAC1 (0.52) HDAC8HDAC6HDAC4HDAC3HDAC1
SCHEMBL1491497 0.77 MMP2 (0.44) MMP2MMP9ANPEPLTA4HLAP3

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 11 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-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
EP-2069291-A1 HDAC INHIBITORS Chroma Therapeutics Limited (GB) 2009-06-17 EP 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 HDAC8 7/4885HDAC6 10/4885HDAC4 6/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC8 7/4885HDAC6 10/4885HDAC4 6/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC8 8/4885HDAC6 11/4885HDAC4 4/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC8 7/4885HDAC6 10/4885HDAC4 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.