SCHEMBL2609722

SCHEMBL2609722

CCOC(=O)CN(C)C(=O)C(C)OC(=O)/C=C/C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HCAR2 Q8TDS4 4/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GFPT1 Q06210 1/20 0.30

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
SCHEMBL28619896 1.00 CA12 (0.43) CA12CA1CA2CA9HCAR2
SCHEMBL2115866 0.89 HCAR2 (0.47) CA12CA1CA2CA9HCAR2
SCHEMBL2115869 0.89 HCAR2 (0.47) CA12CA1CA2CA9HCAR2
SCHEMBL19760891 0.86 HCAR2 (0.39) HCAR2KEAP1NFE2L2GFPT1
SCHEMBL2114878 0.83 HCAR2 (0.40) CA12CA1CA2CA9HCAR2
SCHEMBL2609708 0.77 CA12 (0.47) CA12CA1CA2CA9HCAR2
SCHEMBL28629284 0.76 PIN1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL2609721 0.76 PIN1 (0.42) ALDH1A1SMN1; SMN2
SCHEMBL2609714 0.75 HCAR2 (0.50) CA12CA1CA2CA9HCAR2
SCHEMBL2114879 0.74 HCAR2 (0.54) HCAR2

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 34 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-11007167-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 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-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-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 (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 CA12 395/4885CA1 269/4885CA2 516/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 CA12 1323/4885CA1 336/4885CA2 1132/4885
US-20190125710-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML CA12 395/4885CA1 269/4885CA2 516/4885
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML CA12 395/4885CA1 269/4885CA2 516/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML CA12 395/4885CA1 269/4885CA2 516/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 CA12 1201/4885CA1 263/4885CA2 828/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML CA12 395/4885CA1 269/4885CA2 516/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML CA12 395/4885CA1 269/4885CA2 516/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML CA12 395/4885CA1 269/4885CA2 516/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 CA12 1323/4885CA1 336/4885CA2 1132/4885
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML CA12 395/4885CA1 269/4885CA2 516/4885

“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.