Fumaric Acid

Fumaric Acid

SCHEMBL4131542

CNCc1cc(S(=O)(=O)c2ccncc2)n(-c2ccccc2Cl)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.36

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
SLC6A2 known ✓ P23975 1/20 0.34
MEN1 known ✓ O00255 1/20 0.33
KMT2A known ✓ Q03164 1/20 0.33
REN known ✓ P00797 1/20 0.33
DRD2 known ✓ P14416 1/20 0.33
SLC16A3 O15427 5/20 0.36
SLC16A1 P53985 4/20 0.36
NAMPT P43490 2/20 0.35
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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 SCHEMBL4131538 1.00 SLC16A3 (0.36) SLC16A3SLC16A1NAMPTSLC6A2NPC1
Fumaric Acid SCHEMBL4137854 0.90 CNR1 (0.36) SLC16A3SLC16A1NAMPTKDM4EALDH1A1
Fumaric Acid SCHEMBL4137848 0.90 CNR1 (0.36) SLC16A3SLC16A1NAMPTKDM4EALDH1A1
Fumaric Acid SCHEMBL3691572 0.89 SLC16A3 (0.36) SLC16A3SLC16A1SLC6A2NPC1HPGD
Fumaric Acid SCHEMBL3691568 0.89 SLC16A3 (0.36) SLC16A3SLC16A1SLC6A2NPC1HPGD
Fumaric Acid SCHEMBL4134743 0.87 REN (0.36) SLC16A3SLC16A1NAMPTNPC1HPGD
Fumaric Acid SCHEMBL4134751 0.87 REN (0.36) SLC16A3SLC16A1NAMPTNPC1HPGD
Fumaric Acid SCHEMBL3705567 0.87 CA2 (0.37) SLC16A3SLC16A1NPC1HPGDRAB9A
Fumaric Acid SCHEMBL3705571 0.87 CA2 (0.37) SLC16A3SLC16A1NPC1HPGDRAB9A
Fumaric Acid SCHEMBL4131318 0.85 NAMPT (0.35) SLC16A3SLC16A1NAMPTSLC6A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 SLC6A2 3641/4885MEN1 1910/4885KMT2A 4776/4885

“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.