SCHEMBL2114266

SCHEMBL2114266

COC(=O)/C=C/C(=O)OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.59
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
GFPT1 Q06210 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAM P19021 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1965904 1.00 HCAR2 (0.59) HCAR2KEAP1NFE2L2GFPT1MAPT
SCHEMBL27342684 0.88 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL14535450 0.88 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL17048353 0.84 HCAR2 (0.62) HCAR2KEAP1NFE2L2GFPT1MAPT
SCHEMBL17048352 0.84 HCAR2 (0.62) HCAR2KEAP1NFE2L2GFPT1MAPT
SCHEMBL6522650 0.82 HCAR2 (0.59) HCAR2KEAP1NFE2L2GFPT1MAPT
SCHEMBL2627702 0.82 HCAR2 (0.59) HCAR2KEAP1NFE2L2GFPT1MAPT
SCHEMBL27382721 0.81 HCAR2 (0.60) HCAR2MAPTALDH1A1KDM4ETDP1
SCHEMBL196591 0.81 MAPT (0.47) HCAR2KEAP1NFE2L2GFPT1MAPT
SCHEMBL196590 0.81 MAPT (0.47) HCAR2KEAP1NFE2L2GFPT1MAPT

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-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP claimed
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate RAJASEKHAR VIJAYKUMAR (US) 2019-11-05 US disclosed
US-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE RAJASEKHAR VIJAYKUMAR (US) 2017-08-03 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-2016061393-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2016-04-21 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-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT INC (US) 2014-11-06 US disclosed
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 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
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP 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-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 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-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate FH, HMGCR, HPGD HCAR2 382/4885KEAP1 1506/4885NFE2L2 1357/4885
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-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE FH, HMGCR, HPGD HCAR2 382/4885KEAP1 1506/4885NFE2L2 1357/4885
US-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 HCAR2 68/4885KEAP1 2596/4885NFE2L2 2036/4885

“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.