SCHEMBL2838599

SCHEMBL2838599

CCCC(=O)N(CCOC)CCOC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
MLYCD O95822 1/20 0.39
TP53 P04637 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 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
SCHEMBL16355256 0.90 ALDH1A1 (0.40) ALDH1A1HPGDPOLBL3MBTL1LMNA
Fumaric Acid SCHEMBL16430879 0.89 HCAR2 (0.43) ALDH1A1HPGDPOLBL3MBTL1MLYCD
SCHEMBL10305060 0.84 MLYCD (0.40) ALDH1A1HPGDPOLBL3MBTL1LMNA
SCHEMBL9436907 0.84 DNM1 (0.47) ALDH1A1LMNACES2CES1TSHR
SCHEMBL13612708 0.83 ALDH1A1 (0.48) ALDH1A1HPGDPOLBL3MBTL1MLYCD
SCHEMBL1373081 0.82 ALDH1A1 (0.57) ALDH1A1HPGDPOLBL3MBTL1LMNA
SCHEMBL22821471 0.81 DNM1 (0.49) ALDH1A1HPGDLMNATP53KDM4E
SCHEMBL1819894 0.80 ALDH1A1 (0.67) ALDH1A1HPGDPOLBLMNATP53
SCHEMBL23502942 0.80 POLB (0.39) ALDH1A1HPGDPOLBL3MBTL1LMNA
SCHEMBL2838597 0.80 POLB (0.39) ALDH1A1HPGDPOLBL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 US claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US claimed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects ARBOR PHARMACEUTICALS, LLC 2021-07-29 US disclosed
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects ARBOR PHARMACEUTICALS, LLC (US) 2021-03-16 US disclosed
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
US-20150307914-A9 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS ARBOR PHARMACEUTICALS, LLC 2015-10-29 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
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP disclosed
US-8492416-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-07-23 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-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB Biopharma SRL (BE) 2012-02-09 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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20080097109-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2008-04-24 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 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 (12 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 ALDH1A1 2050/4885HPGD 8/4885POLB 1143/4885
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885HPGD 10/4885POLB 1066/4885
US-20080097109-A1 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 ALDH1A1 186/4885HPGD 288/4885POLB 1239/4885
US-10945984-B2 Methods of administering monomethyl fumarate and prodrugs thereof having reduced side effects FH, FAH, ALDOA ALDH1A1 626/4885HPGD 156/4885POLB 957/4885
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate FH, HMGCR, HPGD ALDH1A1 1730/4885HPGD 3/4885POLB 2508/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR ALDH1A1 1063/4885HPGD 145/4885POLB 735/4885
US-20120035239-A1 2-OXO-1-PYRROLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES CYP1B1, OGDH, CYP1A2 ALDH1A1 186/4885HPGD 288/4885POLB 1239/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 ALDH1A1 635/4885HPGD 164/4885POLB 883/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885HPGD 8/4885POLB 1143/4885
US-20150307914-A9 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 ALDH1A1 635/4885HPGD 164/4885POLB 883/4885
US-20210228525-A1 Methods of Administering Monomethyl Fumarate and Prodrugs Thereof Having Reduced Side Effects FH, FAH, ALDOA ALDH1A1 626/4885HPGD 156/4885POLB 957/4885
US-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE FH, HMGCR, HPGD ALDH1A1 1730/4885HPGD 3/4885POLB 2508/4885

“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.