Ethyl Fumarate

Ethyl Fumarate

SCHEMBL1904374

CCOC(=O)C=CC(=O)[O-].CCOC(=O)C=CC(=O)[O-].[Ca+2]

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ethyl Fumarate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.61
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 5/20 0.46
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
LMNA P02545 2/20 0.41
MDM2 Q00987 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.41
THRB P10828 1/20 0.41
MAOB P27338 1/20 0.39

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
Ethyl Fumarate SCHEMBL1904369 1.00 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL9435698 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL5016627 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL11470776 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL6440837 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL1905731 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL1902730 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL1903287 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL20594713 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7
Ethyl Fumarate SCHEMBL6440490 0.95 HCAR2 (0.61) HCAR2CA12CA1CA2CA7

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016074684-A1 FUMARIC ACID DERIVATIVES FOR MEDICAL USE SYDDANSK UNIVERSITET (DK) 2016-05-19 WO claimed
US-20160030374-A1 USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA FUMAPHARM AG (CH) 2016-02-04 US claimed
US-8980832-B2 Use of fumaric acid derivatives for treating cardiac insufficiency, and asthma BIOGEN IDEC INTERNATIONAL GMBH (CH) 2015-03-17 US claimed
US-20110124615-A1 USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA FUMAPHARM AG 2011-05-26 US claimed
US-20080233185-A1 Fumaric Acid Derivatives as NF-kappaB Inhibitor FUMAPHARM AG 2008-09-25 US claimed
EP-1913942-A2 The use of fumaric acid derivatives for treating cardiac insufficiency, and asthma Fumapharm AG (CH) 2008-04-23 EP claimed
EP-1663197-B1 THE USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA FUMAPHARM AG (CH) 2007-12-05 EP claimed
US-20070027076-A1 Use of fumaric acid derivatives for treating cardiac insufficiency, and asthma FUMAPHAM AG 2007-02-01 US claimed
EP-1248606-B1 USE OF FUMARIC ACID DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES FUMAPHARM AG (CH) 2006-06-14 EP claimed
EP-1663197-A1 THE USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA Fumapharm AG (CH) 2006-06-07 EP claimed
WO-2005023241-A1 THE USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA FUMAPHARM AG (CH) 2005-03-17 WO claimed
US-6858750-B2 Use of fumaric acid derivatives for treating mitochondrial diseases FUMAPHARM AG (CH) 2005-02-22 US claimed
US-20040054001-A1 Fumaric acid derivatives as nf-kappab inhibitors FUMAPHARM AG (CH) 2004-03-18 US claimed
US-20030013761-A1 Use of fumaric acid derivatives for treating mitochondrial diseases BIOGEN INTERNATIONAL GMBH (CH) 2003-01-16 US claimed
WO-2016074684-A1 FUMARIC ACID DERIVATIVES FOR MEDICAL USE SYDDANSK UNIVERSITET (DK) 2016-05-19 WO disclosed
US-20160030374-A1 USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA FUMAPHARM AG (CH) 2016-02-04 US disclosed
US-8980832-B2 Use of fumaric acid derivatives for treating cardiac insufficiency, and asthma BIOGEN IDEC INTERNATIONAL GMBH (CH) 2015-03-17 US disclosed
US-6858750-B2 Use of fumaric acid derivatives for treating mitochondrial diseases FUMAPHARM AG (CH) 2005-02-22 US disclosed
US-20040054001-A1 Fumaric acid derivatives as nf-kappab inhibitors FUMAPHARM AG (CH) 2004-03-18 US disclosed
US-20030013761-A1 Use of fumaric acid derivatives for treating mitochondrial diseases BIOGEN INTERNATIONAL GMBH (CH) 2003-01-16 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 (6 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-20040054001-A1 Fumaric acid derivatives as nf-kappab inhibitors NFKBIA, NFKB1, NFKB2 HCAR2 480/4885CA12 1740/4885CA1 640/4885
US-20160030374-A1 USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA FH, FAH, AADAC HCAR2 44/4885CA12 1050/4885CA1 278/4885
US-20080233185-A1 Fumaric Acid Derivatives as NF-kappaB Inhibitor NFKBIA, NFKB1, NFKB2 HCAR2 485/4885CA12 1755/4885CA1 639/4885
US-20070027076-A1 Use of fumaric acid derivatives for treating cardiac insufficiency, and asthma FH, FAH, AADAC HCAR2 44/4885CA12 1050/4885CA1 278/4885
US-20030013761-A1 Use of fumaric acid derivatives for treating mitochondrial diseases FH, HADHA, HADH HCAR2 1163/4885CA12 2834/4885CA1 1590/4885
US-20110124615-A1 USE OF FUMARIC ACID DERIVATIVES FOR TREATING CARDIAC INSUFFICIENCY, AND ASTHMA FH, FAH, AADAC HCAR2 44/4885CA12 1050/4885CA1 278/4885

“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.