SCHEMBL2113304

SCHEMBL2113304

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
STAT3 P40763 1/20 0.37
MAPT P10636 5/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 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
SCHEMBL23241267 0.88 ALDH1A1 (0.38) HCAR2KEAP1NFE2L2STAT3MAPT
SCHEMBL2609697 0.85 HCAR2 (0.52) HCAR2KEAP1NFE2L2STAT3MAPT
SCHEMBL15490807 0.80 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTPOLB
Tepilamide Fumarate SCHEMBL15512161 0.78 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTPOLB
Tepilamide Fumarate SCHEMBL2609690 0.78 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTPOLB
Tepilamide Fumarate SCHEMBL17092614 0.78 HCAR2 (0.48) HCAR2KEAP1NFE2L2MAPTPOLB
SCHEMBL196620 0.77 HCAR2 (0.43) HCAR2KEAP1NFE2L2STAT3MAPT
SCHEMBL19701744 0.77 HCAR2 (0.43) HCAR2KEAP1NFE2L2STAT3MAPT
SCHEMBL17070330 0.76 HCAR2 (0.42) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL17048352 0.76 HCAR2 (0.62) HCAR2KEAP1NFE2L2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4215191-A1 COMPOSITION COMPRISING A FUMARATE FOR USE IN A METHOD OF TREATING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2023-07-26 EP disclosed
US-11246850-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2022-02-15 US disclosed
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2021-10-14 US disclosed
US-11129806-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-09-28 US disclosed
US-11007166-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 US disclosed
EP-3804711-A1 METHODS OF TREATING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2021-04-14 EP disclosed
US-10959972-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-03-30 US disclosed
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2020-11-05 US disclosed
US-20190125710-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. (US) 2019-05-02 US disclosed
US-20180000770-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC (US) 2018-01-04 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-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 (11 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-11129806-B2 Methods of treating multiple sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
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-20190125710-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
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-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
US-20210315854-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-10959972-B2 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-20200345679-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.