SCHEMBL3457480

SCHEMBL3457480

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGB1 P05556 1/20 0.58
ITGAV P06756 1/20 0.58
ITGA5 P08648 1/20 0.58
BDKRB2 P30411 1/20 0.43
EPHX1 P07099 3/20 0.42
TPSAB1 Q15661 4/20 0.41
HPGD P15428 2/20 0.40
HDAC1 Q13547 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KLKB1 P03952 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PROC P04070 1/20 0.39
F7 P08709 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL1410181 0.87 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL29228688 0.87 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL3776442 0.86 ITGB1 (0.47) ITGB3ITGB1ITGAVITGA5TPSAB1
SCHEMBL17147653 0.85 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL8202193 0.83 TPSAB1 (0.50) ITGB3ITGB1ITGAVITGA5BDKRB2
SCHEMBL27784579 0.83 TPSAB1 (0.50) ITGB3ITGB1ITGAVITGA5BDKRB2
Hydrochloric Acid SCHEMBL8843403 0.82 EPHX1 (0.53) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL19712544 0.80 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL1410956 0.80 ITGB3 (0.50) ITGB3ITGB1ITGAVITGA5EPHX1
SCHEMBL17138252 0.79 HPGD (0.46) ITGB3ITGB1ITGAVITGA5EPHX1

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 14 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-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
EP-2077999-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Chroma Therapeutics Limited (GB) 2009-07-15 EP disclosed
EP-2069291-A1 HDAC INHIBITORS Chroma Therapeutics Limited (GB) 2009-06-17 EP disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (5 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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 ITGB3 2143/4885ITGB1 764/4885ITGAV 2767/4885
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.