SCHEMBL2115838

SCHEMBL2115838

CCOC(=O)CN(Cc1ccccc1)C(=O)COC(=O)/C=C(\C)C(=O)OCC(=O)N(CC(=O)OCC)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
PIN1 Q13526 1/20 0.46
ALDH1A1 P00352 7/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
BLM P54132 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17240946 0.93 MEN1 (0.47) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL28619903 0.92 ALDH1A1 (0.46) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL2115836 0.92 PIN1 (0.47) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL2115841 0.92 PIN1 (0.47) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL2115968 0.87 PIN1 (0.45) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL17240945 0.86 PIN1 (0.43) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL29406680 0.84 PIN1 (0.46) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL2115563 0.82 ALDH1A1 (0.50) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL2115566 0.82 ALDH1A1 (0.50) MEN1KMT2APIN1ALDH1A1TRPM8
SCHEMBL2609720 0.81 MAPT (0.51) MEN1KMT2APIN1ALDH1A1TRPM8

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 45 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-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF XENOPORT, INC. (US) 2012-04-19 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
WO-2015138917-A1 DIMETHYL FUMARATE AND VACCINATION REGIMENS BIOGEN MA INC. (US) 2015-09-17 WO disclosed
WO-2015128492-A1 MONOMETHYL- AND DIMETHYLFUMARATE FOR NK CELL ACTIVATION MAGHAZACHI AZZAM A (NO) 2015-09-03 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 (12 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 844/4885PIN1 1935/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 MEN1 992/4885KMT2A 318/4885PIN1 405/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 MEN1 1994/4885KMT2A 1926/4885PIN1 962/4885
US-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE FH, FAH, MGMT MEN1 414/4885KMT2A 297/4885PIN1 1693/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML MEN1 1729/4885KMT2A 844/4885PIN1 1935/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML MEN1 1729/4885KMT2A 844/4885PIN1 1935/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR MEN1 1724/4885KMT2A 797/4885PIN1 806/4885
US-20210228701-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB MEN1 455/4885KMT2A 417/4885PIN1 2070/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML MEN1 1729/4885KMT2A 844/4885PIN1 1935/4885
US-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT MEN1 414/4885KMT2A 297/4885PIN1 1693/4885
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB MEN1 455/4885KMT2A 417/4885PIN1 2070/4885
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT MEN1 414/4885KMT2A 297/4885PIN1 1693/4885

“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.