Fumaric Acid

Fumaric Acid

SCHEMBL4136246

CNCc1cc(S(=O)(=O)c2ccc(OC)nc2)n(-c2ccccc2Cl)n1.O=C(O)C=CC(=O)O

nearest known ligand 0.38

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 17)

geneUniProtsupporting neighboursconfidence
KMT2A known ✓ Q03164 2/20 0.36
MEN1 known ✓ O00255 1/20 0.35
NAMPT P43490 5/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SLC16A3 O15427 6/20 0.35
SLC16A1 P53985 5/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.35
PABPC1 P11940 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
TAS2R14 Q9NYV8 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 SCHEMBL4136237 1.00 NAMPT (0.38) NAMPTKMT2AALDH1A1LMNASLC16A3
Fumaric Acid SCHEMBL3706211 0.91 ALDH1A1 (0.35) NAMPTKMT2AALDH1A1LMNASLC16A3
Fumaric Acid SCHEMBL3706208 0.89 HTR2C (0.37) NAMPTKMT2AALDH1A1LMNASLC16A3
Fumaric Acid SCHEMBL4131328 0.89 NAMPT (0.35) NAMPTKMT2AALDH1A1SLC16A3SLC16A1
Fumaric Acid SCHEMBL4131318 0.89 NAMPT (0.35) NAMPTKMT2AALDH1A1SLC16A3SLC16A1
Fumaric Acid SCHEMBL3705571 0.88 CA2 (0.37) LMNASLC16A3SLC16A1CA2CA5A
Fumaric Acid SCHEMBL3705567 0.88 CA2 (0.37) LMNASLC16A3SLC16A1CA2CA5A
Fumaric Acid SCHEMBL4137854 0.84 CNR1 (0.36) NAMPTALDH1A1SLC16A3SLC16A1TSHR
Fumaric Acid SCHEMBL4137848 0.84 CNR1 (0.36) NAMPTALDH1A1SLC16A3SLC16A1TSHR
Fumaric Acid SCHEMBL4131538 0.83 SLC16A3 (0.36) NAMPTKMT2AALDH1A1SLC16A3SLC16A1

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 1910/4885NAMPT 2129/4885

“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.