SCHEMBL196620

SCHEMBL196620

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MVD P53602 1/20 0.43
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MAPT P10636 5/20 0.35
MDM4 O15151 1/20 0.35
LMNA P02545 1/20 0.35
MDM2 Q00987 1/20 0.35
GFPT1 Q06210 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
STAT3 P40763 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19701744 0.87 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609708 0.84 CA12 (0.47) HCAR2KEAP1NFE2L2ALDH1A1POLB
SCHEMBL15490807 0.83 HCAR2 (0.46) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609697 0.80 HCAR2 (0.52) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609719 0.80 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2609707 0.80 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL9974266 0.79 HCAR2 (0.36) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2114266 0.78 HCAR2 (0.59) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL1965904 0.78 HCAR2 (0.59) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL2113304 0.77 HCAR2 (0.48) HCAR2KEAP1NFE2L2ALDH1A1TDP1

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 70 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-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 US claimed
JP-2012500285-A 2012-01-05 JP claimed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO 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-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC (US) 2026-01-08 US disclosed
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-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens BIOGEN MA INC. (US) 2022-03-10 US 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-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-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate BIOGEN IDEC MA INC. 2013-08-22 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-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US disclosed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-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-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 HCAR2 2171/4885KEAP1 3881/4885NFE2L2 3045/4885
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-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT HCAR2 1752/4885KEAP1 557/4885NFE2L2 440/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 HCAR2 3998/4885KEAP1 1101/4885NFE2L2 1099/4885
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-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB HCAR2 3109/4885KEAP1 476/4885NFE2L2 92/4885

“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.