SCHEMBL8203526

SCHEMBL8203526

CC(C)COC(C)ONC(=O)/C=C/c1ccc(CN[C@H](C(=O)OC2CCCC2)C2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC3 O15379 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC4 P56524 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KDM1A O60341 2/20 0.34
HDAC2 Q92769 3/20 0.33
CYP1A2 P05177 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL19723075 1.00 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5SMN1; SMN2
SCHEMBL8190620 0.90 HDAC4 (0.43) ITGB3ITGB1ITGAVITGA5HDAC1
SCHEMBL12810239 0.90 HDAC4 (0.41) ITGB3ITGB1ITGAVITGA5HDAC1
SCHEMBL1410887 0.90 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5SMN1; SMN2
SCHEMBL1410894 0.90 ITGB3 (0.46) ITGB3ITGB1ITGAVITGA5SMN1; SMN2
SCHEMBL13539401 0.86 TAS1R3 (0.37) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL8203850 0.84 MAPK14 (0.38) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL12810013 0.84 MAPK14 (0.38) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL12810113 0.84 HDAC3 (0.56) ITGB3ITGB1ITGAVITGA5HDAC1
SCHEMBL19723001 0.84 HDAC3 (0.56) ITGB3ITGB1ITGAVITGA5HDAC1

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-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
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 ITGB3 1577/4885ITGB1 819/4885ITGAV 2817/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 ITGB3 1568/4885ITGB1 793/4885ITGAV 2780/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 ITGB3 853/4885ITGB1 374/4885ITGAV 1702/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 ITGB3 1577/4885ITGB1 819/4885ITGAV 2817/4885

“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.