SCHEMBL1411065

SCHEMBL1411065

CC(C)COC(C)ONC(=O)/C=C/c1cccc(C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A19 Q695T7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MMP1 P03956 7/20 0.38
MMP2 P08253 7/20 0.38
MMP9 P14780 7/20 0.38
ALDH1A1 P00352 3/20 0.38
HDAC4 P56524 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
MEF2D Q14814 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL1411066 1.00 SLC6A19 (0.39) SLC6A19KDM4EMMP1MMP2MMP9
SCHEMBL1411073 0.88 TAS1R3 (0.40) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1411075 0.88 TAS1R3 (0.40) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2727261 0.86 HDAC4 (0.43) KDM4EMMP1MMP2MMP9ALDH1A1
SCHEMBL1411168 0.86 TDP1 (0.40) SLC6A19KDM4EMMP1MMP2MMP9
SCHEMBL2727257 0.86 HDAC4 (0.43) KDM4EMMP1MMP2MMP9ALDH1A1
SCHEMBL1411170 0.86 TDP1 (0.40) SLC6A19KDM4EMMP1MMP2MMP9
SCHEMBL1411360 0.80 MAOB (0.50) MMP1MMP2MMP9HDAC4HDAC3
SCHEMBL1411363 0.80 MAOB (0.50) MMP1MMP2MMP9HDAC4HDAC3
SCHEMBL3784075 0.80 HDAC3 (0.38) KDM4EALDH1A1HDAC4TRPV1HDAC3

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 24 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
EP-2295410-B1 HDAC inhibitor GLAXOSMITHKLINE IP DEV LTD (GB) 2017-03-15 EP disclosed
EP-2295410-B1 HDAC inhibitor GLAXOSMITHKLINE IP DEV LTD (GB) 2017-03-15 EP 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-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-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
WO-2012025701-A1 ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-03-01 WO 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
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 (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 SLC6A19 2414/4885KDM4E 71/4885MMP1 312/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 SLC6A19 2580/4885KDM4E 78/4885MMP1 1003/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 SLC6A19 2478/4885KDM4E 71/4885MMP1 322/4885

“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.