SCHEMBL2116104

SCHEMBL2116104

CC(=CC(=O)O)C(=O)OCC(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 3/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RECQL P46063 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1967816 1.00 MEN1 (0.44) MEN1KMT2AALOX15TSHRGAA
SCHEMBL1967818 0.89 MEN1 (0.53) MEN1KMT2AALOX15TSHRGAA
SCHEMBL2114125 0.77 HCAR2 (0.43) ALOX15TSHRALDH1A1
SCHEMBL2114129 0.77 HCAR2 (0.43) ALOX15TSHRALDH1A1
SCHEMBL20337332 0.76 MEN1 (0.48) MEN1KMT2AGAAALDH1A1
SCHEMBL2135252 0.75 MEN1 (0.45) MEN1KMT2ATSHRCA12CA14
SCHEMBL2116143 0.75 MEN1 (0.45) MEN1KMT2ATSHRCA12CA14
SCHEMBL6573229 0.75 FAAH (0.44) GAARECQLALDH1A1
SCHEMBL18095908 0.75
SCHEMBL18095909 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US claimed
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC (US) 2026-01-08 US disclosed
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-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-11129806-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-09-28 US disclosed
US-20210228701-A1 Dimethyl Fumarate and Vaccination Regimens BIOGEN MA INC. (US) 2021-07-29 US disclosed
US-11007166-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
EP-2999482-A2 PRODRUGS AND DRUGS Biogen MA Inc. (US) 2016-03-30 EP disclosed
WO-2015172083-A1 DIMETHYLFUMARATE AND PRODRUGS FOR TREATMENT OF MULTIPLE SCLEROSIS BIOGEN MA INC. (US) 2015-11-12 WO disclosed
US-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE BIOGEN MA INC. 2015-07-30 US disclosed
WO-2014190056-A2 PRODRUGS AND DRUGS BIOGEN IDEC MA INC. (US) 2014-11-27 WO disclosed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US disclosed
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate BIOGEN MA INC. 2013-11-07 US disclosed
US-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate BIOGEN IDEC MA INC. 2013-08-22 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

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 MEN1 1729/4885KMT2A 844/4885ALOX15 2505/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 MEN1 992/4885KMT2A 318/4885ALOX15 834/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 MEN1 1994/4885KMT2A 1926/4885ALOX15 2627/4885
US-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE FH, FAH, MGMT MEN1 414/4885KMT2A 297/4885ALOX15 1091/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML MEN1 1729/4885KMT2A 844/4885ALOX15 2505/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML MEN1 1729/4885KMT2A 844/4885ALOX15 2505/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR MEN1 1724/4885KMT2A 797/4885ALOX15 2657/4885
US-20210228701-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB MEN1 455/4885KMT2A 417/4885ALOX15 1300/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML MEN1 1729/4885KMT2A 844/4885ALOX15 2505/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML MEN1 1729/4885KMT2A 844/4885ALOX15 2505/4885
US-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT MEN1 414/4885KMT2A 297/4885ALOX15 1091/4885
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB MEN1 455/4885KMT2A 417/4885ALOX15 1300/4885
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT MEN1 414/4885KMT2A 297/4885ALOX15 1091/4885

“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.