SCHEMBL196649

SCHEMBL196649

COC(=O)/C=C/C(=O)OCC(=O)NCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HCAR2 Q8TDS4 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A5 Q9Y345 1/20 0.40
ATM Q13315 1/20 0.40
EPHX2 P34913 2/20 0.39
HTT P42858 1/20 0.39
ADRA1A P35348 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 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
SCHEMBL196650 1.00 MAPT (0.43) MAPTKDM4EALDH1A1HCAR2KEAP1
SCHEMBL2115881 0.89 HCAR2 (0.42) MAPTKDM4EALDH1A1HCAR2FAAH
SCHEMBL2115883 0.89 HCAR2 (0.42) MAPTKDM4EALDH1A1HCAR2FAAH
SCHEMBL19701741 0.88 FAAH (0.44) MAPTKDM4EALDH1A1HCAR2KEAP1
SCHEMBL29393125 0.85 ALDH1A1 (0.39) MAPTKDM4EALDH1A1HCAR2KEAP1
SCHEMBL2615390 0.85 HCAR2 (0.52) MAPTKDM4EALDH1A1HCAR2KEAP1
SCHEMBL2609694 0.84 FAAH (0.54) MAPTALDH1A1HCAR2KEAP1NFE2L2
SCHEMBL17777272 0.81 HCAR2 (0.43) MAPTKDM4EALDH1A1HCAR2KEAP1
SCHEMBL196591 0.80 MAPT (0.47) MAPTKDM4EALDH1A1HCAR2KEAP1
SCHEMBL196590 0.80 MAPT (0.47) MAPTKDM4EALDH1A1HCAR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 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
JP-2012500285-A 2012-01-05 JP claimed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US claimed
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC (US) 2026-01-08 US disclosed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 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
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
CN-115531366-A Method of treating multiple sclerosis 渤健马萨诸塞州股份有限公司 2022-12-30 CN disclosed
CN-115501218-A Methods of treating multiple sclerosis 渤健马萨诸塞州股份有限公司 2022-12-23 CN disclosed
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US disclosed
EP-2334378-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2011-06-22 EP disclosed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO 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
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 (4 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-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 MAPT 1398/4885KDM4E 566/4885ALDH1A1 1970/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 MAPT 25/4885KDM4E 1334/4885ALDH1A1 3705/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 MAPT 2243/4885KDM4E 2062/4885ALDH1A1 635/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 MAPT 1222/4885KDM4E 484/4885ALDH1A1 2050/4885

“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.