SCHEMBL2609734

SCHEMBL2609734

COC(=O)/C=C/C(=O)OC(C)OC(=O)/C=C/C(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.65
NFE2L2 Q16236 2/20 0.65
KEAP1 Q14145 1/20 0.65
GFPT1 Q06210 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
TYR P14679 1/20 0.36
RECQL P46063 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL18421667 1.00 HCAR2 (0.65) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL2609731 0.89 HCAR2 (0.52) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL2609729 0.88 HCAR2 (0.50) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL20830052 0.87 HCAR2 (0.54) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL13133177 0.85 HCAR2 (0.67) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL13133179 0.85 HCAR2 (0.67) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL6446896 0.85 HCAR2 (0.67) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL28625721 0.83 HCAR2 (0.45) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL2609725 0.83 HCAR2 (0.45) HCAR2NFE2L2KEAP1GFPT1ALDH1A1
SCHEMBL7262707 0.83 HCAR2 (0.62) HCAR2NFE2L2KEAP1GFPT1ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131633-B1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ALBRECHT WOLFGANG (DE) 2020-03-04 EP disclosed
US-9969674-B2 MMF-derivatives of ethyleneglycols RATIOPHARM GMBH (DE) 2018-05-15 US disclosed
US-20180000770-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC (US) 2018-01-04 US disclosed
US-20170368013-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-28 US disclosed
US-20170354630-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-14 US disclosed
US-20170354630-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-14 US disclosed
EP-3131633-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ratiopharm GmbH (DE) 2017-02-22 EP disclosed
US-20170029357-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS ALBRECHT, WOLFGANG (DE) 2017-02-02 US disclosed
WO-2016153957-A2 METHODS AND COMPOSITIONS FOR THE INTRAVENOUS ADMINISTRATION OF FUMARATES FOR THE TREATMENT OF NEUROLOGICAL DISEASES BIOGEN MA INC. (US) 2016-09-29 WO disclosed
US-9452972-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2016-09-27 US disclosed
US-8778991-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2014-07-15 US disclosed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US disclosed
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2012-06-21 US disclosed
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 US disclosed
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 US disclosed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US disclosed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US disclosed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO disclosed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US disclosed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 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 (7 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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 HCAR2 70/4885NFE2L2 2133/4885KEAP1 2571/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 HCAR2 68/4885NFE2L2 2036/4885KEAP1 2596/4885
US-20170368013-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885NFE2L2 2166/4885KEAP1 1718/4885
US-20180000770-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885NFE2L2 2166/4885KEAP1 1718/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 HCAR2 70/4885NFE2L2 2133/4885KEAP1 2571/4885
US-20170354630-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885NFE2L2 2166/4885KEAP1 1718/4885
US-20170029357-A1 MMF-DERIVATIVES OF ETHYLENEGLYCOLS MGMT, PMM2, HLA-DRB1 HCAR2 455/4885NFE2L2 184/4885KEAP1 425/4885

“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.