Fumaric Acid

Fumaric Acid

SCHEMBL4137854

CNCc1cc(S(=O)(=O)c2cccnc2)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 12)

geneUniProtsupporting neighboursconfidence
REN known ✓ P00797 2/20 0.34
DRD2 known ✓ P14416 1/20 0.33
CNR1 P21554 1/20 0.36
NAMPT P43490 7/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
GNRHR P30968 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD3 P35462 1/20 0.33
IDH1 O75874 1/20 0.33
TSHR P16473 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 SCHEMBL4137848 1.00 CNR1 (0.36) CNR1NAMPTSLC16A3SLC16A1REN
SCHEMBL3695836 0.93 CNR1 (0.36) CNR1NAMPTGNRHR
Fumaric Acid SCHEMBL4131542 0.90 SLC16A3 (0.36) CNR1NAMPTSLC16A3SLC16A1REN
Fumaric Acid SCHEMBL4131538 0.90 SLC16A3 (0.36) CNR1NAMPTSLC16A3SLC16A1REN
Fumaric Acid SCHEMBL3701692 0.90 NAMPT (0.37) NAMPT
Fumaric Acid SCHEMBL3701699 0.90 NAMPT (0.37) NAMPT
Fumaric Acid SCHEMBL3708418 0.89 SLC16A3 (0.32) CNR1NAMPTSLC16A3SLC16A1
Fumaric Acid SCHEMBL3708414 0.89 SLC16A3 (0.32) CNR1NAMPTSLC16A3SLC16A1REN
Fumaric Acid SCHEMBL4131328 0.89 NAMPT (0.35) CNR1NAMPTSLC16A3SLC16A1ALDH1A1
Fumaric Acid SCHEMBL4134751 0.89 REN (0.36) CNR1NAMPTSLC16A3SLC16A1REN

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 REN 1158/4885DRD2 4339/4885CNR1 938/4885

“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.