Fumaric Acid

Fumaric Acid

SCHEMBL4126019

CNCc1cc(-c2cccnc2F)c(S(=O)(=O)c2ccc(OC)nc2)s1.O=C(O)C=CC(=O)O

nearest known ligand 0.39

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
MEN1 known ✓ O00255 4/20 0.34
KMT2A known ✓ Q03164 4/20 0.34
PIK3CD known ✓ O00329 1/20 0.32
PIK3CA known ✓ P42336 1/20 0.32
PIK3CB known ✓ P42338 1/20 0.32
PIK3CG known ✓ P48736 1/20 0.32
NAMPT P43490 6/20 0.39
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
HTT P42858 2/20 0.34
PABPC1 P11940 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 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 SCHEMBL3651799 1.00 NAMPT (0.39) NAMPTMEN1KMT2AMAPTALOX15
Fumaric Acid SCHEMBL4135452 0.90 NAMPT (0.37) NAMPTMEN1KMT2AALDH1A1CYP2A6
Fumaric Acid SCHEMBL4135457 0.90 NAMPT (0.37) NAMPTMEN1KMT2AALDH1A1CYP2A6
Fumaric Acid SCHEMBL4130276 0.87 CYP2A6 (0.34) NAMPTMEN1KMT2ACYP2A6POLB
Fumaric Acid SCHEMBL4130268 0.87 CYP2A6 (0.34) NAMPTMEN1KMT2ACYP2A6POLB
Fumaric Acid SCHEMBL4119125 0.85 NFE2L2 (0.35) MEN1KMT2AMAPTTP53GSK3B
Fumaric Acid SCHEMBL4119118 0.85 NFE2L2 (0.35) MEN1KMT2AMAPTTP53GSK3B
SCHEMBL4126014 0.83 NAMPT (0.34) NAMPTMEN1KMT2AMAPTALOX15
Fumaric Acid SCHEMBL3646703 0.82 KDM4E (0.36) NAMPTMEN1KMT2ATSHRNPSR1
Fumaric Acid SCHEMBL3646707 0.82 KDM4E (0.36) NAMPTMEN1KMT2ATSHRNPSR1

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 MEN1 1910/4885KMT2A 4776/4885PIK3CD 1112/4885

“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.