Fumaric Acid

Fumaric Acid

SCHEMBL5247994

Cc1cccc(C(=O)CN2CCC(CN3Cc4ccccc4C3=O)CC2)c1.O=C(O)C=CC(=O)O

nearest known ligand 0.64

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 18)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.64
HTR2A known ✓ P28223 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
PARP1 P09874 3/20 0.47
PARP2 Q9UGN5 2/20 0.47
ACHE P22303 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALDH3A1 P30838 1/20 0.42
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGAV P06756 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SIRT1 Q96EB6 1/20 0.38

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 SCHEMBL5247982 1.00 HTR1A (0.64) HTR1AHTR2ATMEM97PARP1PARP2
SCHEMBL5248309 0.94 HTR1A (0.70) HTR1AHTR2ATMEM97PARP1PARP2
Fumaric Acid SCHEMBL5248864 0.89 HTR2A (0.64) HTR1AHTR2ATMEM97PARP1PARP2
Fumaric Acid SCHEMBL5248871 0.89 HTR2A (0.64) HTR1AHTR2ATMEM97PARP1PARP2
Fumaric Acid SCHEMBL5253230 0.89 HTR1A (0.61) HTR1AHTR2ATMEM97PARP1ACHE
Fumaric Acid SCHEMBL5253226 0.89 HTR1A (0.61) HTR1AHTR2ATMEM97PARP1ACHE
Fumaric Acid SCHEMBL5249861 0.86 HTR2A (0.72) HTR1AHTR2ATMEM97PARP1ACHE
Fumaric Acid SCHEMBL5249864 0.86 HTR2A (0.72) HTR1AHTR2ATMEM97PARP1ACHE
SCHEMBL5250232 0.86 HTR1A (0.84) HTR1AHTR2ATMEM97PARP1ACHE
Hydrochloric Acid SCHEMBL5250528 0.85 HTR1A (0.82) HTR1AHTR2ATMEM97PARP1ACHE

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-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 79/4885HTR2A 153/4885TMEM97 10/4885

“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.