SCHEMBL16090986

SCHEMBL16090986

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
GFPT1 Q06210 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TYR P14679 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL23919465 0.77 HCAR2 (0.52) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL9576561 0.77 TSHR (0.35) ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8449337 0.73 NFE2L2 (0.65) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL8449347 0.73 NFE2L2 (0.65) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL8451389 0.73 NFE2L2 (0.65) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL20964489 0.73 HCAR2 (0.46) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL22912839 0.73 HCAR2 (0.46) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
Dimethyl Fumarate SCHEMBL29110379 0.70 NFE2L2 (0.77) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
Dimethyl Fumarate SCHEMBL41836 0.69 NFE2L2 (1.00) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
Dimethyl Maleate SCHEMBL75864 0.69 NFE2L2 (1.00) HCAR2KEAP1NFE2L2GFPT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-01-25 US disclosed
EP-4230264-A2 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2023-08-23 EP disclosed
EP-3366668-B1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LTD (IE) 2023-06-21 EP disclosed
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2023-06-20 US disclosed
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2023-06-20 US disclosed
US-11083703-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2021-08-10 US disclosed
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-11-12 US disclosed
US-10596140-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2020-03-24 US disclosed
US-10406133-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2019-09-10 US disclosed
US-20180042881-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-02-15 US disclosed
US-9775823-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-10-03 US disclosed
US-9775823-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-10-03 US disclosed
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-04-06 US disclosed
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-04-06 US disclosed
US-9505776-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2016-11-29 US disclosed
US-9505776-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2016-11-29 US disclosed
WO-2014152494-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-25 WO disclosed
US-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-18 US disclosed
US-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-18 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-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-11083703-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-10406133-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-10596140-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-20180042881-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885KEAP1 888/4885NFE2L2 416/4885

“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.