Fumaric Acid

Fumaric Acid

SCHEMBL3650341

CNCc1cc(S(=O)(=O)c2cccnc2)c(-c2cccnc2Cl)s1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.36

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 17)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.33
KMT2A known ✓ Q03164 1/20 0.33
TBXAS1 P24557 4/20 0.36
CYP2A6 P11509 2/20 0.34
NAMPT P43490 6/20 0.34
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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 SCHEMBL3650347 1.00 TBXAS1 (0.36) TBXAS1CYP2A6NAMPTHTR6MEN1
Fumaric Acid SCHEMBL3651792 0.90 TBXAS1 (0.36) TBXAS1CYP2A6NAMPTHTR6MEN1
Fumaric Acid SCHEMBL3651794 0.90 TBXAS1 (0.36) TBXAS1CYP2A6NAMPTHTR6MEN1
Fumaric Acid SCHEMBL4126583 0.87 GAA (0.40) TBXAS1CYP2A6NAMPTHTR6KMT2A
Fumaric Acid SCHEMBL4126588 0.87 GAA (0.40) TBXAS1CYP2A6NAMPTHTR6KMT2A
Fumaric Acid SCHEMBL3649699 0.87 GPBAR1 (0.35) TBXAS1CYP2A6NAMPTMEN1POLB
Fumaric Acid SCHEMBL3649706 0.87 GPBAR1 (0.35) TBXAS1CYP2A6NAMPTMEN1POLB
SCHEMBL3652974 0.81 CYP2A6 (0.39) CYP2A6NAMPTHTR6KMT2AL3MBTL1
SCHEMBL4126094 0.81 NAMPT (0.35) TBXAS1NAMPTPOLBALDH1A1
SCHEMBL4126083 0.81 GPBAR1 (0.36) TBXAS1NAMPTPOLBCYP2C9CYP2C19

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 4776/4885TBXAS1 670/4885

“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.