SCHEMBL8203850

SCHEMBL8203850

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC4 P56524 3/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 5/20 0.33
NOS1 P29475 5/20 0.33
NOS2 P35228 5/20 0.33
KDM1A O60341 3/20 0.33
HDAC2 Q92769 2/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 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
SCHEMBL12810013 1.00 MAPK14 (0.38) MAPK14SMN1; SMN2NPC1RAB9AHDAC4
SCHEMBL1411564 0.86 HDAC3 (0.48) MAPK14HDAC4HDAC3HDAC1HDAC8
SCHEMBL1410714 0.86 HDAC3 (0.48) MAPK14HDAC4HDAC3HDAC1HDAC8
SCHEMBL1411557 0.86 HDAC3 (0.48) MAPK14HDAC4HDAC3HDAC1HDAC8
SCHEMBL1410711 0.86 HDAC3 (0.48) MAPK14HDAC4HDAC3HDAC1HDAC8
SCHEMBL8203526 0.84 ITGB3 (0.41) SMN1; SMN2NPC1RAB9AHDAC4HDAC3
SCHEMBL19723075 0.84 ITGB3 (0.41) SMN1; SMN2NPC1RAB9AHDAC4HDAC3
SCHEMBL1411190 0.84 HDAC1 (0.51) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL1411193 0.84 HDAC1 (0.51) HDAC4HDAC3HDAC1HDAC8HDAC6
SCHEMBL19723095 0.84 HDAC1 (0.51) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK14 2523/4885SMN1; SMN2 3274/4885NPC1 1434/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 MAPK14 2558/4885SMN1; SMN2 3277/4885NPC1 1349/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 MAPK14 2154/4885SMN1; SMN2 2343/4885NPC1 2072/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 MAPK14 2523/4885SMN1; SMN2 3274/4885NPC1 1434/4885

“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.