Fumaric Acid

Fumaric Acid

SCHEMBL4120946

CNCc1cn(S(=O)(=O)c2ccnn2C)c(-c2ccccc2F)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.33

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 15)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.32
MEN1 known ✓ O00255 1/20 0.31
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
FFAR1 O14842 1/20 0.32
TSHR P16473 3/20 0.31
MAPK1 P28482 2/20 0.31
RECQL P46063 1/20 0.31
CTSA P10619 2/20 0.31
F2 P00734 1/20 0.31

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 SCHEMBL4120937 1.00 AKR1C4 (0.33) AKR1C4AKR1C3KMT2ALMNASMN1; SMN2
Fumaric Acid SCHEMBL3696446 0.85 HTR6 (0.39) AKR1C4AKR1C3LMNASMN1; SMN2FFAR1
Fumaric Acid SCHEMBL3696438 0.85 HTR6 (0.39) AKR1C4AKR1C3LMNASMN1; SMN2FFAR1
Fumaric Acid SCHEMBL3693956 0.81 AKR1C4 (0.33) AKR1C4AKR1C3KMT2ALMNASMN1; SMN2
Fumaric Acid SCHEMBL3693954 0.81 AKR1C4 (0.33) AKR1C4AKR1C3KMT2ALMNASMN1; SMN2
Fumaric Acid SCHEMBL3703509 0.80 RAB9A (0.36) AKR1C4AKR1C3KMT2ALMNASMN1; SMN2
Fumaric Acid SCHEMBL3696949 0.80 FFAR1 (0.35) AKR1C4AKR1C3KMT2ALMNASMN1; SMN2
Fumaric Acid SCHEMBL3703504 0.80 RAB9A (0.36) AKR1C4AKR1C3KMT2ALMNASMN1; SMN2
Fumaric Acid SCHEMBL3696944 0.80 FFAR1 (0.35) AKR1C4AKR1C3KMT2ALMNASMN1; SMN2
SCHEMBL4120943 0.80 HCAR2 (0.31)

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 KMT2A 4776/4885MEN1 1910/4885AKR1C4 831/4885

“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.