SCHEMBL2609701

SCHEMBL2609701

COC(=O)/C=C/C(=O)OCC(=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 1/20 0.46
▸ TPSD1 Q9BZJ3 1/20 0.46
▸ TPSG1 Q9NRR2 1/20 0.46
▸ L3MBTL1 Q9Y468 5/20 0.41
▸ HCAR2 Q8TDS4 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL17070332 0.85 L3MBTL1 (0.52) L3MBTL1HCAR2KEAP1NFE2L2ATM
SCHEMBL15490808 0.84 L3MBTL1 (0.52) L3MBTL1HCAR2KEAP1NFE2L2ATM
SCHEMBL2609709 0.83 GAA (0.43) L3MBTL1HCAR2KEAP1NFE2L2ATM
SCHEMBL2609702 0.83 ALDH1A1 (0.42) L3MBTL1HCAR2KEAP1NFE2L2ATM
SCHEMBL2609692 0.81 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1GAAHPGD
SCHEMBL19710848 0.79 L3MBTL1 (0.44) L3MBTL1HCAR2KEAP1NFE2L2TDP1
SCHEMBL2190802 0.78 ALDH1A1 (0.53) HCAR2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL2190798 0.78 ALDH1A1 (0.53) HCAR2KEAP1NFE2L2KDM4EALDH1A1
SCHEMBL2904241 0.76 TPSAB1 (0.49) TPSAB1TPSD1TPSG1L3MBTL1KDM4E
SCHEMBL2904236 0.76 TPSAB1 (0.49) TPSAB1TPSD1TPSG1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 TPSAB1 2989/4885TPSD1 2583/4885TPSG1 1948/4885
US-20120157523-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 TPSAB1 3260/4885TPSD1 2656/4885TPSG1 2433/4885
US-11007167-B2 Methods of treating multiple sclerosis FAH, FH, PML TPSAB1 2989/4885TPSD1 2583/4885TPSG1 1948/4885
US-20120095003-A1 METHODS OF USING PRODRUGS OF METHYL HYDROGEN FUMARATE AND PHARMACEUTICAL COMPOSITIONS THEREOF FH, MGMT, BHMT2 TPSAB1 3416/4885TPSD1 2757/4885TPSG1 2348/4885
US-11590095-B2 Fumarate ester dosage forms FH, FAH, SDHB TPSAB1 3892/4885TPSD1 3240/4885TPSG1 3984/4885
US-11007166-B2 Methods of treating multiple sclerosis FAH, FH, PML TPSAB1 2989/4885TPSD1 2583/4885TPSG1 1948/4885
US-11246850-B2 Methods of treating multiple sclerosis FAH, FH, PML TPSAB1 2989/4885TPSD1 2583/4885TPSG1 1948/4885
US-20210315854-A1 METHODS OF TREATING MULTIPLE SCLEROSIS FAH, FH, PML TPSAB1 2989/4885TPSD1 2583/4885TPSG1 1948/4885
US-10959972-B2 Methods of treating multiple sclerosis FAH, FH, PML TPSAB1 2989/4885TPSD1 2583/4885TPSG1 1948/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 TPSAB1 3260/4885TPSD1 2656/4885TPSG1 2433/4885
US-11903918-B2 Fumarate ester dosage forms with enhanced gastrointestinal tolerability FH, SI, FAH TPSAB1 2548/4885TPSD1 1423/4885TPSG1 2653/4885

“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.

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