SCHEMBL16090963

SCHEMBL16090963

COC(=O)/C=C/C(=O)OCCN(CCC#N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
ALDH1A1 P00352 8/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
MLYCD O95822 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16090964 0.83 ALDH1A1 (0.46) MDM2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7801577 0.82 USP2 (0.48) USP2HSD17B10TP53MDM2ALDH1A1
SCHEMBL11521086 0.79 USP2 (0.46) USP2HSD17B10TP53MDM2ALDH1A1
SCHEMBL11408705 0.79 USP2 (0.58) USP2HSD17B10TP53ALDH1A1MEN1
SCHEMBL7512736 0.78 TDP1 (0.49) USP2HSD17B10TP53MDM2ALDH1A1
SCHEMBL15499967 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11520560 0.77 USP2 (0.44) USP2HSD17B10TP53MDM2ALDH1A1
SCHEMBL2822227 0.77 HSD17B10 (0.43) USP2HSD17B10TP53MDM2ALDH1A1
SCHEMBL11330158 0.77 USP2 (0.51) USP2HSD17B10TP53MDM2ALDH1A1
Hydrochloric Acid SCHEMBL29541422 0.77 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-11083703-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-10406133-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-11679092-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-10596140-B2 Prodrugs of fumarates and their use in treating various diseases FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-20200352893-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-20240024275-A1 Prodrugs of Fumarates and Their Use in Treating Various Diseases FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-20180042881-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885
US-20170095439-A1 PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES FH, FAH, GLS2 USP2 2776/4885HSD17B10 192/4885TP53 676/4885

“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.