SCHEMBL2609714

SCHEMBL2609714

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
GFPT1 Q06210 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
JAK2 O60674 1/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL18288691 0.92 HCAR2 (0.45) HCAR2KEAP1NFE2L2TDP1ESR1
SCHEMBL18288652 0.92 HCAR2 (0.45) HCAR2KEAP1NFE2L2TDP1ESR1
SCHEMBL2115988 0.85 HCAR2 (0.59) HCAR2KEAP1NFE2L2KDM4EMAPT
SCHEMBL2115986 0.85 HCAR2 (0.59) HCAR2KEAP1NFE2L2KDM4EMAPT
SCHEMBL23241118 0.80 ALDH1A1 (0.45) HCAR2KEAP1NFE2L2GFPT1KDM4E
SCHEMBL2609717 0.80 ALDH1A1 (0.45) HCAR2KEAP1NFE2L2GFPT1KDM4E
SCHEMBL17777292 0.80 ALDH1A1 (0.45) HCAR2KEAP1NFE2L2GFPT1KDM4E
SCHEMBL2114191 0.78 HCAR2 (0.56) HCAR2KEAP1NFE2L2GFPT1KDM4E
SCHEMBL2114189 0.78 HCAR2 (0.56) HCAR2KEAP1NFE2L2GFPT1KDM4E
SCHEMBL19760891 0.77 HCAR2 (0.39) HCAR2KEAP1NFE2L2GFPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11007167-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 US disclosed
US-10959972-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-03-30 US disclosed
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2021-01-28 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-20170368013-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-28 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
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-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 (13 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-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML HCAR2 1264/4885KEAP1 1718/4885NFE2L2 2166/4885
US-11007167-B2 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-20170368013-A1 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-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.