SCHEMBL1411201

SCHEMBL1411201

CC(C)(C)OC[C@H](NCc1ccc(CN)cc1)C(=O)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.46
TPSD1 Q9BZJ3 4/20 0.46
TPSG1 Q9NRR2 4/20 0.46
MAPK14 Q16539 1/20 0.46
CACNA1B Q00975 5/20 0.40
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 5/20 0.35
CYP19A1 P11511 1/20 0.34
PLG P00747 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
F2 P00734 2/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL13541955 0.84 TPSAB1 (0.46) TPSAB1TPSD1TPSG1MAPK14CACNA1B
SCHEMBL8207106 0.83 TPSAB1 (0.48) TPSAB1TPSD1TPSG1MAPK14ALDH1A1
SCHEMBL1411564 0.83 HDAC3 (0.48) MAPK14HDAC3HDAC1HDAC2
SCHEMBL1410711 0.83 HDAC3 (0.48) MAPK14HDAC3HDAC1HDAC2
SCHEMBL1411557 0.83 HDAC3 (0.48) MAPK14HDAC3HDAC1HDAC2
SCHEMBL1410714 0.83 HDAC3 (0.48) MAPK14HDAC3HDAC1HDAC2
SCHEMBL2278384 0.81 PSMB5 (0.42) MAPK14CACNA1BALDH1A1
SCHEMBL1411193 0.80 HDAC1 (0.51) HDAC3HDAC1HDAC2
SCHEMBL1411190 0.80 HDAC1 (0.51) HDAC3HDAC1HDAC2
SCHEMBL19723095 0.80 HDAC1 (0.51) HDAC3HDAC1HDAC2

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 27 patents — showing the first 20. 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
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-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US 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-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 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-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-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 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
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
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
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 (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-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 TPSAB1 377/4885TPSD1 789/4885TPSG1 813/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 TPSAB1 1849/4885TPSD1 3023/4885TPSG1 3330/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 TPSAB1 404/4885TPSD1 811/4885TPSG1 840/4885

“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.