SCHEMBL2609712

SCHEMBL2609712

COC(=O)/C=C/C(=O)OC(C)C(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.38
PTGS2 P35354 1/20 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
SCHEMBL2609715 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18292237 0.94 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL2115608 0.88 HCAR2 (0.47) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL2115607 0.88 HCAR2 (0.47) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18288709 0.88 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL19701743 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL19701745 0.84 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL18288696 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18288705 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HPGDHCAR2L3MBTL1
SCHEMBL23241230 0.78 CYP3A4 (0.34) SMN1; SMN2ALDH1A1CYP3A4CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20190125710-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. (US) 2019-05-02 US disclosed
US-20170354630-A1 Methods of Treating Multiple Sclerosis BIOGEN MA INC. 2017-12-14 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 (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 SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 SMN1; SMN2 2353/4885ALDH1A1 2050/4885HPGD 8/4885
US-20190125710-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-20210023040-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 SMN1; SMN2 2337/4885ALDH1A1 1970/4885HPGD 10/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 SMN1; SMN2 2353/4885ALDH1A1 2050/4885HPGD 8/4885
US-20170354630-A1 Methods of Treating Multiple Sclerosis FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885
US-20200345679-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML SMN1; SMN2 356/4885ALDH1A1 3424/4885HPGD 3393/4885

“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.