Fumaric Acid

Fumaric Acid

SCHEMBL1357673

CNCc1cn(S(=O)(=O)c2cccc(OC)c2)c(-c2ccccc2)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.42

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
DRD2 known ✓ P14416 1/20 0.39
HTR6 P50406 8/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KLKB1 P03952 1/20 0.41
KAT6A Q92794 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
HDAC1 Q13547 2/20 0.39
HTR7 P34969 1/20 0.39
MET P08581 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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 SCHEMBL1357678 1.00 HTR6 (0.42) HTR6PTGDR2KLKB1KAT6AALDH1A1
SCHEMBL1357268 0.94 HTR6 (0.44) HTR6PTGDR2KLKB1ALDH1A1CA1
Fumaric Acid SCHEMBL1357682 0.82 ALDH1A1 (0.38) HTR6KLKB1ALDH1A1HDAC1
Fumaric Acid SCHEMBL1357683 0.82 ALDH1A1 (0.38) HTR6KLKB1ALDH1A1HDAC1
SCHEMBL1357675 0.81 HTR6 (0.39) HTR6PTGDR2KLKB1KAT6ACA1
Fumaric Acid SCHEMBL1355977 0.79 SMN1; SMN2 (0.36) HTR6PTGDR2KAT6AALDH1A1HDAC1
Fumaric Acid SCHEMBL1355982 0.79 SMN1; SMN2 (0.36) HTR6PTGDR2KAT6AALDH1A1HDAC1
SCHEMBL1355959 0.79 HTR6 (0.45) HTR6ALDH1A1CA1CA2CA4
SCHEMBL12137852 0.78 OGG1 (0.59) HTR6ALDH1A1NR1H2NR1H3DRD2
Fumaric Acid SCHEMBL1357695 0.77 RAB9A (0.39) ALDH1A1

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-2005957-B1 ACID SECRETION INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-05-30 EP disclosed
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-24 US disclosed
US-7994205-B2 Aryl-or heteroaryl-sulfonyl compounds as acid secretion inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-09 US disclosed
US-20090118335-A1 Acid Secretion Inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 US disclosed
EP-2005957-A1 ACID SECRETION INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2008-12-24 EP 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 (2 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-20090118335-A1 Acid Secretion Inhibitor ATP6AP1, HRH2, ATP6V1G1 DRD2 2598/4885HTR6 2825/4885PTGDR2 558/4885
US-20110288040-A1 ARYL- OR HETEROARYL-SULFONYL COMPOUNDS AS ACID SECRETION INHIBITORS GHSR, GIPR, HRH2 DRD2 2495/4885HTR6 1927/4885PTGDR2 635/4885

“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.