SCHEMBL2609733

SCHEMBL2609733

CCCC(OC(=O)/C=C/C(=O)OC)OC(=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HCAR2 Q8TDS4 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NAAA Q02083 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL23241251 0.79 EPHX2 (0.30)
SCHEMBL637831 0.77 ALDH1A1 (0.35) CTSKSMN1; SMN2ALDH1A1NAAACTSL
SCHEMBL29846113 0.76 CTSK (0.43) CTSKSMN1; SMN2ALDH1A1NAAACTSL
SCHEMBL15572688 0.74 CTSK (0.32) CTSKSMN1; SMN2ALDH1A1
SCHEMBL15572686 0.74 CTSK (0.32) CTSKSMN1; SMN2ALDH1A1
SCHEMBL27300462 0.73 SMN1; SMN2 (0.43) CTSKSMN1; SMN2ALDH1A1NAAAADRB2
SCHEMBL28261373 0.71 CTSK (0.44) CTSKSMN1; SMN2ALDH1A1NAAAADRB2
SCHEMBL5533200 0.71 ALDH1A1 (0.41) CTSKSMN1; SMN2ALDH1A1NAAACTSL
SCHEMBL637830 0.70 CTSK (0.33) CTSKSMN1; SMN2ALDH1A1ADRB2ADRB1
SCHEMBL5831229 0.70 HCAR2 (0.42) CTSKHCAR2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-11007166-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 US disclosed
US-11007167-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-05-18 US disclosed
EP-3804711-A1 METHODS OF TREATING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2021-04-14 EP disclosed
US-10959972-B2 Methods of treating multiple sclerosis BIOGEN MA INC. (US) 2021-03-30 US disclosed
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2021-01-28 US disclosed
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. 2020-11-05 US disclosed
US-8778991-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2014-07-15 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-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-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
US-8148414-B2 Prodrugs of methyl hydrogen fumarate, pharmaceutical compositions thereof, and methods of use XENOPORT, INC. (US) 2012-04-03 US 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

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 CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 CTSK 2018/4885SMN1; SMN2 2353/4885HCAR2 70/4885
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 CTSK 1884/4885SMN1; SMN2 2337/4885HCAR2 68/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 CTSK 2018/4885SMN1; SMN2 2353/4885HCAR2 70/4885
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML CTSK 776/4885SMN1; SMN2 356/4885HCAR2 1264/4885

“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.