SCHEMBL16102002

SCHEMBL16102002

O=C(O)/C=C/C(=O)OCCN1CCOCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.41
PDK2 Q15119 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC2 O75106 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL16102004 1.00 HCAR2 (0.41) HCAR2PDK2ALDH1A1KDM4EHPGD
SCHEMBL16102000 0.94 ALDH1A1 (0.39) PDK2ALDH1A1KDM4EHPGDPRKAB2
SCHEMBL16090933 0.88 ALDH1A1 (0.41) HCAR2PDK2ALDH1A1KDM4EHPGD
SCHEMBL16098418 0.81 HCAR2 (0.42) HCAR2PDK2ALDH1A1KDM4EHPGD
SCHEMBL16098420 0.81 HCAR2 (0.42) HCAR2PDK2ALDH1A1KDM4EHPGD
SCHEMBL12655903 0.79 BLM (0.51) HCAR2ALDH1A1MEN1KMT2APOLB
SCHEMBL402938 0.79 BLM (0.51) HCAR2ALDH1A1MEN1KMT2APOLB
SCHEMBL402937 0.79 BLM (0.51) HCAR2ALDH1A1MEN1KMT2APOLB
SCHEMBL27739322 0.79 ALDH1A1 (0.41) PDK2ALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL15154747 0.77 ALDH1A1 (0.52) HCAR2ALDH1A1KDM4EHPGDMEN1

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 20 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-10117846-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2018-11-06 US disclosed
US-10080733-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2018-09-25 US disclosed
EP-3366668-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2018-08-29 EP 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
CN-107501110-A Fumarate pro-drug and its application in a variety of diseases are treated 阿尔克梅斯制药爱尔兰有限公司 2017-12-22 CN disclosed
US-9775823-B2 Prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-10-03 US disclosed
CN-105452213-B Fumarate prodrugs and their use in the treatment of various diseases 阿尔克梅斯制药爱尔兰有限公司 2017-09-22 CN 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
EP-2970101-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES Alkermes Pharma Ireland Limited (IE) 2016-01-20 EP disclosed
WO-2014152494-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DESEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2014-09-25 WO 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 (12 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-11083703-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-10406133-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-10596140-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-10080733-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-20190201367-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-20180042881-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-10117846-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-20180064673-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 HCAR2 613/4885PDK2 187/4885ALDH1A1 363/4885

“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.