SCHEMBL2834701

SCHEMBL2834701

CCOC(=O)CN([C]=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIN1 Q13526 1/20 0.45
PPID Q08752 1/20 0.44
LTA4H P09960 1/20 0.44
TP53 P04637 2/20 0.44
ALOX5 P09917 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3184733 0.82 ALDH1A1 (0.54) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL254781 0.81 ALDH1A1 (0.53) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL5941081 0.80 PIN1 (0.56) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8337648 0.80 ALDH1A1 (0.57) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL4847536 0.79 RORC (0.50) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL15904253 0.79 ALDH1A1 (0.48) ALDH1A1LMNARAB9ANPC1HTT
SCHEMBL13541712 0.78 L3MBTL1 (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL3496565 0.78 CA12 (0.48) ALDH1A1LMNAHSD17B10SMN1; SMN2MAPT
SCHEMBL17700288 0.77 TSHR (0.54) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL20506778 0.77 ALDH1A1 (0.49) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
EP-4215191-A1 COMPOSITION COMPRISING A FUMARATE FOR USE IN A METHOD OF TREATING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2023-07-26 EP disclosed
US-20210228701-A1 Dimethyl Fumarate and Vaccination Regimens BIOGEN MA INC. (US) 2021-07-29 US disclosed
EP-3650042-A1 DIMETHYL FUMARATE AND VACCINATION REGIMENS Biogen MA Inc. (US) 2020-05-13 EP disclosed
US-10555993-B2 Dimethyl fumarate and vaccination regimens BIOGEN MA INC. (US) 2020-02-11 US disclosed
US-20190247485-A1 Dimethyl Fumarate and Vaccination Regimens BIOGEN MA INC. (US) 2019-08-15 US disclosed
EP-3220907-A1 METHODS OF TREATING MULTIPLE SCLEROSIS Biogen MA Inc. (US) 2017-09-27 EP disclosed
EP-3116536-A1 DIMETHYL FUMARATE AND VACCINATION REGIMENS Biogen MA Inc. (US) 2017-01-18 EP disclosed
WO-2016081355-A1 METHODS OF TREATING MULTIPLE SCLEROSIS BIOGEN MA INC. (US) 2016-05-26 WO disclosed
WO-2015138917-A1 DIMETHYL FUMARATE AND VACCINATION REGIMENS BIOGEN MA INC. (US) 2015-09-17 WO disclosed
WO-2015128492-A1 MONOMETHYL- AND DIMETHYLFUMARATE FOR NK CELL ACTIVATION MAGHAZACHI AZZAM A (NO) 2015-09-03 WO disclosed
EP-2811994-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE Biogen Idec MA Inc. (US) 2014-12-17 EP disclosed
WO-2013119677-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DIMETHYL FUMARATE BIOGEN IDEC MA INC. (US) 2013-08-15 WO disclosed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 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 (3 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-10555993-B2 Dimethyl fumarate and vaccination regimens FH, HLA-DRB1, SDHB ALDH1A1 3688/4885LMNA 4083/4885POLB 633/4885
US-20210228701-A1 Dimethyl Fumarate and Vaccination Regimens FH, HLA-DRB1, SDHB ALDH1A1 3688/4885LMNA 4083/4885POLB 633/4885
US-20190247485-A1 Dimethyl Fumarate and Vaccination Regimens FH, SDHB, SDHA ALDH1A1 3954/4885LMNA 2629/4885POLB 1033/4885

“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.