SCHEMBL3457367

SCHEMBL3457367

CC(C)(C)OC(=O)NCc1ccc(CN[C@H](C(=O)O)C2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.50
ITGB1 P05556 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
EPHX1 P07099 2/20 0.43
NAMPT P43490 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.40
HDAC1 Q13547 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CACNA1B Q00975 2/20 0.40

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
SCHEMBL3244499 0.91 GLS (0.46) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL8202738 0.87 CACNA1B (0.48) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL7947169 0.80 EPHX2 (0.43) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL1410181 0.78 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL29228688 0.78 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL12072841 0.78 HTR2C (0.53) EPHX1NAMPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL3457480 0.77 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL3458110 0.77 KMT2A (0.46) EPHX1SMN1; SMN2GAAKMT2A
SCHEMBL17147653 0.77 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL3180689 0.76 L3MBTL1 (0.61) NAMPTL3MBTL1SDCBPSDC2GAA

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 8 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
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US 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.