SCHEMBL2609725

SCHEMBL2609725

CCOC(=O)OC(C)OC(=O)/C=C/C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 2/20 0.40
SOAT1 P35610 1/20 0.38
GFPT1 Q06210 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 3/20 0.33
MDM2 Q00987 2/20 0.33
MDM4 O15151 1/20 0.33
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28625721 1.00 HCAR2 (0.45) HCAR2KEAP1NFE2L2ALDH1A1SOAT1
SCHEMBL9304940 0.86 HCAR2 (0.58) HCAR2ALDH1A1SOAT1GAAMAPT
SCHEMBL18421667 0.83 HCAR2 (0.65) HCAR2KEAP1NFE2L2ALDH1A1GFPT1
SCHEMBL2609734 0.83 HCAR2 (0.65) HCAR2KEAP1NFE2L2ALDH1A1GFPT1
SCHEMBL28404629 0.81 ALDH1A1 (0.60) HCAR2ALDH1A1SOAT1MGAMGAA
SCHEMBL2609729 0.80 HCAR2 (0.50) HCAR2KEAP1NFE2L2ALDH1A1GFPT1
SCHEMBL2609731 0.78 HCAR2 (0.52) HCAR2KEAP1NFE2L2ALDH1A1GFPT1
SCHEMBL13842304 0.77 ALDH1A1 (0.50) HCAR2ALDH1A1SOAT1MGAMGAA
SCHEMBL18213887 0.77 HCAR2 (0.50) HCAR2KEAP1NFE2L2ALDH1A1GFPT1
SCHEMBL14420130 0.77 ALDH1A1 (0.44) HCAR2ALDH1A1SOAT1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-9452972-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2016-09-27 US disclosed
WO-2016081355-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. (US) 2016-05-26 WO disclosed
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2015-07-16 US disclosed
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2015-07-16 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 70/4885KEAP1 2571/4885NFE2L2 2133/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 HCAR2 68/4885KEAP1 2596/4885NFE2L2 2036/4885
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 HCAR2 68/4885KEAP1 2596/4885NFE2L2 2036/4885
US-20170368013-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
US-20180000770-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 HCAR2 70/4885KEAP1 2571/4885NFE2L2 2133/4885
US-20170354630-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885

“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.