Fumaric Acid

Fumaric Acid

SCHEMBL7644576

COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1.O=C(O)/C=C/C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 1.00
KMT2A known ✓ Q03164 1/20 1.00
LMNA P02545 1/20 1.00
MAPK1 P28482 1/20 1.00
BLM P54132 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
OPRK1 P41145 18/20 0.89
OPRM1 P35372 2/20 0.89
CYP3A4 P08684 1/20 0.89
CYP2D6 P10635 1/20 0.89
CYP2C9 P11712 1/20 0.89
CYP2C19 P33261 1/20 0.89
OPRD1 P41143 1/20 0.89
TDP1 Q9NUW8 1/20 0.89

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 SCHEMBL1282479 1.00 MEN1 (1.00) MEN1LMNAMAPK1BLMKMT2A
Fumaric Acid SCHEMBL29878340 1.00 MEN1 (1.00) MEN1LMNAMAPK1BLMKMT2A
Fumaric Acid SCHEMBL1282478 1.00 MEN1 (1.00) MEN1LMNAMAPK1BLMKMT2A
SCHEMBL29878663 0.94 OPRK1 (1.00) MEN1LMNAMAPK1BLMKMT2A
SCHEMBL30456108 0.94 OPRK1 (1.00) MEN1LMNAMAPK1BLMKMT2A
SCHEMBL29878034 0.94 OPRK1 (1.00) MEN1LMNAMAPK1BLMKMT2A
SCHEMBL4545382 0.94 OPRK1 (1.00) MEN1LMNAMAPK1BLMKMT2A
Fumaric Acid SCHEMBL10418416 0.92 OPRK1 (0.90) MEN1LMNAMAPK1BLMKMT2A
Fumaric Acid SCHEMBL10418415 0.92 OPRK1 (0.90) MEN1LMNAMAPK1BLMKMT2A
Maleic Acid SCHEMBL10417819 0.91 MEN1 (0.84) MEN1LMNAMAPK1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 WO claimed
US-6191126-B1 TOPICAL ADMINISTERING ALCON LABORATORIES, INC. 2001-02-20 US claimed
US-6174878-B1 OR INTRANASAL COMPOSITION E.G., ASIMADOLINE (EMD-61753), ENADOLINE, BENZENEACETAMIDE, AS AN ANALGESIC FOR EAR INFECTION, SWIMMER'S EAR, ETC.; ACTIVATION OF SPECIFIC RECEPTORS SO NO SIDE EFFECTS ALCON LABORATORIES, INC. 2001-01-16 US claimed
US-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2024-06-06 US disclosed
US-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE UNIV LOUISIANA STATE (US) 2023-06-15 US disclosed
US-6468971-B1 Maintaining kidney function during surgery or trauma BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2002-10-22 US disclosed
US-6174878-B1 OR INTRANASAL COMPOSITION E.G., ASIMADOLINE (EMD-61753), ENADOLINE, BENZENEACETAMIDE, AS AN ANALGESIC FOR EAR INFECTION, SWIMMER'S EAR, ETC.; ACTIVATION OF SPECIFIC RECEPTORS SO NO SIDE EFFECTS ALCON LABORATORIES, INC. 2001-01-16 US disclosed
US-5859043-A Method for maintaining kidney function during surgery or severe trauma under general anesthesia BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-01-12 US disclosed
WO-1997033580-A1 MAINTAINING KIDNEY FUNCTION DURING SURGERY OR TRAUMA BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1997-09-18 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 (2 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-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE OPRK1, OPRL1, AVPR1A MEN1 3533/4885KMT2A 430/4885LMNA 1896/4885
US-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE OPRK1, OPRL1, OPRM1 MEN1 4770/4885KMT2A 1137/4885LMNA 2519/4885

“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.