SCHEMBL196169

SCHEMBL196169

C/C(=C\C(=O)OCCC(=O)N(C)C)C(=O)OCCC(=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA4 P43681 1/20 0.30
THRB P10828 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
SCHEMBL196168 0.86 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA4THRB
SCHEMBL2115775 0.86 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA4THRB
SCHEMBL1964223 0.81 POLB (0.32) NPSR1MEN1KMT2A
SCHEMBL2113820 0.81 CA12 (0.43) NPSR1MEN1KMT2AALDH1A1
SCHEMBL1970699 0.79 MEN1 (0.46) NPSR1MEN1KMT2AALDH1A1
SCHEMBL11809471 0.76 TSHR (0.48) NPSR1MEN1KMT2AALDH1A1THRB
SCHEMBL29374091 0.76 HCAR2 (0.48) NPSR1MEN1KMT2AALDH1A1THRB
SCHEMBL20530243 0.76 HCAR2 (0.48) NPSR1MEN1KMT2AALDH1A1THRB
SCHEMBL27812005 0.76 TSHR (0.48) NPSR1MEN1KMT2AALDH1A1THRB
SCHEMBL9415788 0.74 THRB (0.55) ALDH1A1CHRNB2CHRNB4CHRNA4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE BIOGEN MA INC. 2015-07-30 US disclosed
EP-2811994-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE Biogen Idec MA Inc. (US) 2014-12-17 EP disclosed
WO-2014190056-A2 PRODRUGS AND DRUGS BIOGEN IDEC MA INC. (US) 2014-11-27 WO 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
WO-2013119677-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE BIOGEN IDEC MA INC. (US) 2013-08-15 WO 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 (11 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 NPSR1 3629/4885MEN1 1729/4885KMT2A 844/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML NPSR1 3629/4885MEN1 1729/4885KMT2A 844/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 NPSR1 3954/4885MEN1 992/4885KMT2A 318/4885
US-20260007627-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FH, SLC6A6, SLC6A13 NPSR1 3649/4885MEN1 1994/4885KMT2A 1926/4885
US-20150209318-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE FH, FAH, MGMT NPSR1 4514/4885MEN1 414/4885KMT2A 297/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML NPSR1 3629/4885MEN1 1729/4885KMT2A 844/4885
US-20210228701-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB NPSR1 4559/4885MEN1 455/4885KMT2A 417/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML NPSR1 3629/4885MEN1 1729/4885KMT2A 844/4885
US-20130216615-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT NPSR1 4514/4885MEN1 414/4885KMT2A 297/4885
US-20220072117-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB NPSR1 4559/4885MEN1 455/4885KMT2A 417/4885
US-20130295169-A1 Pharmaceutical Compositions Containing Dimethyl Fumarate FH, FAH, MGMT NPSR1 4514/4885MEN1 414/4885KMT2A 297/4885

“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.