SCHEMBL16090944

SCHEMBL16090944

COC(=O)/C=C/C(=O)OCCN1C(=O)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.42
NFE2L2 Q16236 4/20 0.42
KEAP1 Q14145 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
Diroximel Fumarate SCHEMBL15511916 0.90 HPGD (0.43) HCAR2NFE2L2KEAP1MEN1KMT2A
Diroximel Fumarate SCHEMBL23133759 0.90 HPGD (0.43) HCAR2NFE2L2KEAP1MEN1KMT2A
Diroximel Fumarate SCHEMBL15499960 0.90 HPGD (0.43) HCAR2NFE2L2KEAP1MEN1KMT2A
SCHEMBL16090939 0.88 HCAR2 (0.39) HCAR2NFE2L2KEAP1MEN1KMT2A
SCHEMBL16039159 0.86 HCAR2 (0.38) HCAR2NFE2L2KEAP1MEN1KMT2A
SCHEMBL16039161 0.86 HCAR2 (0.38) HCAR2NFE2L2KEAP1MEN1KMT2A
SCHEMBL23352382 0.85 MEN1 (0.40) HCAR2MEN1KMT2AALDH1A1MAPT
SCHEMBL16037830 0.81 SMN1; SMN2 (0.47) HCAR2NFE2L2KEAP1ALDH1A1MAPT
SCHEMBL16037832 0.81 SMN1; SMN2 (0.47) HCAR2NFE2L2KEAP1ALDH1A1MAPT
SCHEMBL19029829 0.81 MEN1 (0.44) HCAR2MEN1KMT2AALDH1A1ATM

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 29 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
EP-3253377-B1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS ALKERMES PHARMA IRELAND LTD (IE) 2021-05-12 EP 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-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
US-20160228376-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS MORGAN STANLEY SENIOR FUNDING, INC. 2016-08-11 US disclosed
US-20160228376-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS MORGAN STANLEY SENIOR FUNDING, INC. 2016-08-11 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 (8 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 613/4885NFE2L2 416/4885KEAP1 888/4885
US-11083703-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885NFE2L2 416/4885KEAP1 888/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885NFE2L2 416/4885KEAP1 888/4885
US-10596140-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885NFE2L2 416/4885KEAP1 888/4885
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HCAR2 613/4885NFE2L2 416/4885KEAP1 888/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HCAR2 613/4885NFE2L2 416/4885KEAP1 888/4885
US-20160228376-A1 MONOMETHYLFUMARATE PRODRUG COMPOSITIONS DHFR, FPGS, G6PD HCAR2 494/4885NFE2L2 1407/4885KEAP1 738/4885
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885NFE2L2 416/4885KEAP1 888/4885

“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.