Fumaric Acid

Fumaric Acid

SCHEMBL17267490

NCCCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.O=C(O)C=CC(=O)O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 4/20 0.67
SLC6A2 known ✓ P23975 3/20 0.67
SLC6A3 known ✓ Q01959 3/20 0.67
KCNH2 known ✓ Q12809 2/20 0.67
CACNA1C known ✓ Q13936 2/20 0.67
HRH3 known ✓ Q9Y5N1 2/20 0.54
MTOR known ✓ P42345 2/20 0.54
MEN1 known ✓ O00255 1/20 0.54
KMT2A known ✓ Q03164 1/20 0.54
CHRM2 known ✓ P08172 1/20 0.54
ADRA2A known ✓ P08913 1/20 0.54
DRD2 known ✓ P14416 1/20 0.54
ADRA2B known ✓ P18089 1/20 0.54
CHRM3 known ✓ P20309 1/20 0.54
DRD1 known ✓ P21728 1/20 0.54
HTR2A known ✓ P28223 1/20 0.54
HTR2C known ✓ P28335 1/20 0.54
ADRA1A known ✓ P35348 1/20 0.54
HRH1 known ✓ P35367 1/20 0.54
HTR2B known ✓ P41595 1/20 0.54

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 SCHEMBL17267491 1.00 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267583 1.00 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267487 1.00 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267580 1.00 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267537 1.00 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL17267474 0.91 SLC7A5 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL17267476 0.91 SLC7A5 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL17267513 0.91 SLC7A5 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL17267515 0.89 SLC7A5 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267575 0.89 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947066-B1 PHENOXYALKYLAMINE COMPOUND UNIV OSAKA (JP) 2018-09-19 EP disclosed
US-9771316-B2 Phenoxyalkylamine compound OSAKA UNIVERSITY (JP) 2017-09-26 US disclosed
US-20150336876-A1 PHENOXYALKYLAMINE COMPOUND KNC LABORATORIES CO., LTD. (JP) 2015-11-26 US disclosed
EP-2947066-A1 PHENOXYALKYLAMINE COMPOUND Osaka University (JP) 2015-11-25 EP 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-20150336876-A1 PHENOXYALKYLAMINE COMPOUND LATS1, LATS2, SHC1 SLC6A4 413/4885SLC6A2 240/4885SLC6A3 267/4885

“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.