SCHEMBL246754

SCHEMBL246754

C/C(C(=O)O)=C(/CC(=O)Nc1nncs1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
POLB P06746 6/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
ESR2 Q92731 1/20 0.48
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL246755 1.00 LMNA (0.53) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL9931372 0.80 POLB (0.55) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL12649504 0.76 POLB (0.60) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL2872394 0.74 POLB (0.58) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL9931763 0.73 POLB (0.51) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL8356392 0.73 POLB (0.56) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL1970389 0.73 POLB (0.56) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL23933034 0.72 POLB (0.52) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL9931375 0.72 POLB (0.52) LMNAPOLBKDM4ECYP1A2CYP3A4
SCHEMBL25478125 0.72 MAPT (0.57) LMNAPOLBKDM4ECYP1A2CYP3A4

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 87 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
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO 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-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability BANNER LIFE SCIENCES LLC (US) 2024-02-20 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-11590095-B2 Fumarate ester dosage forms BANNER LIFE SCIENCES LLC (US) 2023-02-28 US 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-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-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
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 (9 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-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 LMNA 4568/4885POLB 1143/4885KDM4E 484/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 LMNA 4576/4885POLB 1066/4885KDM4E 566/4885
US-11590095-B2 Fumarate ester dosage forms FH, FAH, SDHB LMNA 2142/4885POLB 2564/4885KDM4E 763/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 LMNA 1608/4885POLB 2313/4885KDM4E 1334/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML LMNA 3109/4885POLB 2218/4885KDM4E 1510/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR LMNA 2518/4885POLB 735/4885KDM4E 1172/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 LMNA 4568/4885POLB 1143/4885KDM4E 484/4885
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB LMNA 4083/4885POLB 633/4885KDM4E 800/4885
US-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability FH, SI, FAH LMNA 4271/4885POLB 2774/4885KDM4E 1412/4885

“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.