Monomethyl Fumarate

Monomethyl Fumarate

SCHEMBL15826620

CC.CC(C)N1CCNCC1.COC(=O)C=CC(=O)O.Cl.Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KEAP1

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 known ✓ Q14145 1/20 0.38
▸ HCAR2 Q8TDS4 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.38
▸ OPRD1 P41143 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HTT P42858 1/20 0.33
▸ GPX4 P36969 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GFPT1 Q06210 1/20 0.31

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
Fumaric Acid SCHEMBL7491655 0.86 KDM4E (0.38) HCAR2ALDH1A1KDM4EOPRD1HSD17B10
Fumaric Acid SCHEMBL7491648 0.86 KDM4E (0.38) HCAR2ALDH1A1KDM4EOPRD1HSD17B10
Monomethyl Fumarate SCHEMBL15826623 0.84 HCAR2 (0.57) HCAR2ALDH1A1MAPTKDM4ETDP1
Monomethyl Fumarate SCHEMBL23247866 0.73 HCAR2 (0.94) HCAR2ALDH1A1MAPTKDM4ETDP1
Monomethyl Fumarate SCHEMBL5526015 0.73 HCAR2 (0.94) HCAR2ALDH1A1MAPTKDM4ETDP1
Monomethyl Fumarate SCHEMBL9320264 0.73 HCAR2 (0.94) HCAR2ALDH1A1MAPTKDM4ETDP1
Monomethyl Fumarate SCHEMBL60132 0.71 — —
Monomethyl Fumarate SCHEMBL60133 0.71 — —
Hydrochloric Acid SCHEMBL522550 0.71 MEN1 (0.38) ALDH1A1MAPTKDM4ECHRM5CHRM3
Dimethyl Fumarate SCHEMBL15573962 0.71 HCAR2 (1.00) HCAR2ALDH1A1MAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243511-B1 PRODRUGS OF MONOMETHYLFUMARATE (MMF) RATIOPHARM GMBH (DE) 2019-03-20 — — EP disclosed
US-9868690-B2 Prodrugs of monomethyl fumarate (MMF) RATIOPHARM GMBH (DE) 2018-01-16 — — US disclosed
EP-3243511-A1 PRODRUGS OF MONOMETHYLFUMARATE (MMF) ratiopharm GmbH (DE) 2017-11-15 — — EP disclosed
EP-2934507-B1 PRODRUGS OF MONOMETHYL FUMARATE (MMF) RATIOPHARM GMBH (DE) 2017-05-31 — — EP disclosed
EP-2934507-A2 PRODRUGS OF MONOMETHYL FUMARATE (MMF) ratiopharm GmbH (DE) 2015-10-28 — — EP disclosed
US-20150299103-A1 PRODRUGS OF MONOMETHYL FUMARATE (MMF) RATIOPHARM GMBH (DE) 2015-10-22 — — US disclosed
WO-2014096425-A2 PRODRUGS OF MONOMETHYL FUMARATE (MMF) RATIOPHARM GMBH (DE) 2014-06-26 — — 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 (1 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-20150299103-A1 PRODRUGS OF MONOMETHYL FUMARATE (MMF) TPMT, FH, FAH KEAP1 1886/4885HCAR2 350/4885ALDH1A1 2013/4885

“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.

Send feedback