Fumaric Acid

Fumaric Acid

SCHEMBL3645618

CNCc1cc(-c2ccccc2F)c(S(=O)(=O)c2cccc(OC)c2)s1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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 1/20 0.36
KMT2A known ✓ Q03164 1/20 0.36
KAT6A Q92794 4/20 0.45
MEP1B Q16820 1/20 0.37
NFE2L2 Q16236 3/20 0.37
MTNR1B P49286 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
PGR P06401 1/20 0.36
HSD11B1 P28845 1/20 0.36
ITGAV P06756 1/20 0.35
KEAP1 Q14145 2/20 0.35
PKM P14618 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35

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 SCHEMBL4132158 1.00 KAT6A (0.45) KAT6AMEP1BNFE2L2MTNR1BGAA
Fumaric Acid SCHEMBL3651233 0.83 KMT2A (0.40) KAT6AGAAMEN1KMT2ARAB9A
Fumaric Acid SCHEMBL3651229 0.83 KMT2A (0.40) KAT6AGAAMEN1KMT2ARAB9A
SCHEMBL4119401 0.82 KAT6A (0.44) KAT6AMEP1BMTNR1BGAAMAPT
Hydrochloric Acid SCHEMBL3648647 0.81 GRIA4 (0.39) KAT6AGAAMAPTHTTKMT2A
SCHEMBL3655896 0.81 KAT6A (0.42) KAT6AMEP1BNFE2L2MTNR1BPGR
SCHEMBL4132156 0.80 KAT6A (0.42) KAT6AMEP1BNFE2L2MTNR1BMAPT
Hydrochloric Acid SCHEMBL3648858 0.79 NFE2L2 (0.42) MEP1BNFE2L2GAA
Fumaric Acid SCHEMBL2841111 0.78 MAPT (0.37) GAAMAPTHTTMEN1KMT2A
SCHEMBL3645620 0.76 KAT6A (0.42) KAT6AMEP1BNFE2L2MTNR1BMAPT

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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 4776/4885KAT6A 4058/4885

“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.