SCHEMBL2115841

SCHEMBL2115841

CCOC(=O)CN(Cc1ccccc1)C(=O)COC(=O)C(C)=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 7/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2115836 1.00 PIN1 (0.47) PIN1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL17240945 0.94 PIN1 (0.43) PIN1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL2115838 0.92 MEN1 (0.53) PIN1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL2115965 0.89 PIN1 (0.45) PIN1ALDH1A1TRPM8KDM4ECYP1A2
SCHEMBL2115969 0.89 PIN1 (0.45) PIN1ALDH1A1TRPM8KDM4ECYP1A2
SCHEMBL17240946 0.85 MEN1 (0.47) PIN1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL28619903 0.84 ALDH1A1 (0.46) PIN1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL2115563 0.81 ALDH1A1 (0.50) PIN1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL2115566 0.81 ALDH1A1 (0.50) PIN1ALDH1A1TRPM8MEN1KMT2A
SCHEMBL2115968 0.81 PIN1 (0.45) PIN1ALDH1A1TRPM8MEN1KMT2A

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 43 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-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
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 (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 PIN1 1935/4885ALDH1A1 3424/4885TRPM8 254/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885ALDH1A1 3424/4885TRPM8 254/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 PIN1 405/4885ALDH1A1 1970/4885TRPM8 1644/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 PIN1 962/4885ALDH1A1 3705/4885TRPM8 53/4885
US-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE FH, FAH, MGMT PIN1 1693/4885ALDH1A1 2678/4885TRPM8 815/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885ALDH1A1 3424/4885TRPM8 254/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML PIN1 1935/4885ALDH1A1 3424/4885TRPM8 254/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR PIN1 806/4885ALDH1A1 1063/4885TRPM8 3946/4885
US-20210228701-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB PIN1 2070/4885ALDH1A1 3688/4885TRPM8 2004/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML PIN1 1935/4885ALDH1A1 3424/4885TRPM8 254/4885
US-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT PIN1 1693/4885ALDH1A1 2678/4885TRPM8 815/4885
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB PIN1 2070/4885ALDH1A1 3688/4885TRPM8 2004/4885
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT PIN1 1693/4885ALDH1A1 2678/4885TRPM8 815/4885

“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.