SCHEMBL16090957

SCHEMBL16090957

COC(=O)/C=C/C(=O)OCCN(C)CCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNA4 P43681 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 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
SCHEMBL15499940 0.89 HCAR2 (0.52) HCAR2KEAP1NFE2L2CHRM2CHRM4
SCHEMBL8013068 0.89 HCAR2 (0.52) HCAR2KEAP1NFE2L2CHRM2CHRM4
SCHEMBL15512163 0.89 HCAR2 (0.52) HCAR2KEAP1NFE2L2CHRM2CHRM4
Hydrochloric Acid SCHEMBL15512238 0.87 HCAR2 (0.50) HCAR2KEAP1NFE2L2CHRM2CHRM4
Hydrochloric Acid SCHEMBL15512237 0.87 HCAR2 (0.50) HCAR2KEAP1NFE2L2CHRM2CHRM4
SCHEMBL26032661 0.83 HCAR2 (0.42) HCAR2KEAP1NFE2L2ATMLMNA
SCHEMBL17695736 0.82 LMNA (0.55) HCAR2KEAP1NFE2L2CHRM2CHRM4
SCHEMBL8016512 0.82 LMNA (0.55) HCAR2KEAP1NFE2L2CHRM2CHRM4
SCHEMBL4412330 0.81 CHRM2 (0.58) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL5540497 0.81 CHRM2 (0.58) HCAR2CHRM2CHRM4CHRM5CHRM1

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.