SCHEMBL2115566

SCHEMBL2115566

CCOC(=O)CN(Cc1ccccc1)C(=O)COC(=O)C=CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.49
HCAR2 Q8TDS4 3/20 0.49
PIN1 Q13526 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MDM4 O15151 1/20 0.43
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2115563 1.00 ALDH1A1 (0.50) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL2609720 0.92 MAPT (0.51) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL1964036 0.88 HCAR2 (0.51) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL1964039 0.88 HCAR2 (0.51) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL28619903 0.83 ALDH1A1 (0.46) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL3213534 0.83 ALDH1A1 (0.55) ALDH1A1POLBPIN1TRPM8L3MBTL1
SCHEMBL2115838 0.82 MEN1 (0.53) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL1964035 0.81 HCAR2 (0.43) ALDH1A1POLBMAPTHCAR2PIN1
SCHEMBL1964038 0.81 HCAR2 (0.43) ALDH1A1POLBMAPTHCAR2PIN1
SCHEMBL2115836 0.81 PIN1 (0.47) ALDH1A1MEN1POLBKMT2AMAPT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452972-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2016-09-27 US claimed
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 claimed
US-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT INC (US) 2014-11-06 US claimed
EP-2650279-A2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XenoPort, Inc. (US) 2013-10-16 EP claimed
CN-114146081-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2022-03-08 CN disclosed
CN-114146079-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2022-03-08 CN disclosed
CN-114146080-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2022-03-08 CN disclosed
CN-113244185-A Pharmaceutical composition containing dimethyl fumarate 比奥根玛公司 2021-08-13 CN 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-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 ALDH1A1 2050/4885MEN1 887/4885POLB 1143/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885MEN1 992/4885POLB 1066/4885
US-20150197486-A9 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885MEN1 992/4885POLB 1066/4885
US-10463642-B2 Methods of treating heart failure diseases using prodrugs of methyl hydrogen fumarate FH, HMGCR, HPGD ALDH1A1 1730/4885MEN1 2286/4885POLB 2508/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 ALDH1A1 2050/4885MEN1 887/4885POLB 1143/4885
US-20170216242-A1 METHODS OF TREATING HEART FAILURE DISEASES USING PRODRUGS OF METHYL HYDROGEN FUMARATE FH, HMGCR, HPGD ALDH1A1 1730/4885MEN1 2286/4885POLB 2508/4885
US-20140329818-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 ALDH1A1 1970/4885MEN1 992/4885POLB 1066/4885

“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.