SCHEMBL16092908

SCHEMBL16092908

COC(=O)/C=C/C(=O)OCCNC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
EPHX2 P34913 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.37
CXCR4 P61073 1/20 0.37
EPHX1 P07099 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL25623301 0.88 L3MBTL1 (0.47) L3MBTL1KDM4EEPHX2LMNAALDH1A1
SCHEMBL18364177 0.82 EPHX2 (0.59) KDM4EEPHX2ALDH1A1EPHX1
SCHEMBL10940748 0.81 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1TDP1CYP1A2
SCHEMBL18354902 0.80 EPHX1 (0.56) L3MBTL1KEAP1NFE2L2HCAR2EPHX2
SCHEMBL18354874 0.80 EPHX1 (0.53) L3MBTL1KEAP1NFE2L2HCAR2EPHX2
SCHEMBL18406314 0.79 KMT2A (0.50) KEAP1NFE2L2HCAR2EPHX2SMN1; SMN2
SCHEMBL26033486 0.79 KDM4E (0.38) L3MBTL1KDM4EEPHX2ALDH1A1SMN1; SMN2
SCHEMBL5950982 0.78 L3MBTL1 (0.52) L3MBTL1KDM4EEPHX2ALDH1A1SMN1; SMN2
SCHEMBL18355148 0.78 EPHX1 (0.57) EPHX2LMNASMN1; SMN2NPSR1RAB9A
SCHEMBL18364363 0.77 EPHX2 (0.68) KDM4EEPHX2ALDH1A1EPHX1

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 17 patents. 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
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-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-20190201367-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-07-04 US disclosed
US-20180064673-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-03-08 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-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

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-20140275048-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-11083703-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-10406133-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-10596140-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-20190201367-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-20180042881-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-20180064673-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 888/4885
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 L3MBTL1 4193/4885KDM4E 1909/4885KEAP1 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.