Fumaric Acid

Fumaric Acid

SCHEMBL4058408

CCN(CCN(C)C)S(=O)(=O)c1ccc(-c2c(O)[nH]c3ccc(C#N)cc23)nc1.O=C(O)C=CC(=O)O

nearest known ligand 0.42

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 20)

geneUniProtsupporting neighboursconfidence
FLT3 known ✓ P36888 1/20 0.33
MEN1 known ✓ O00255 1/20 0.32
KMT2A known ✓ Q03164 1/20 0.32
SLC6A4 known ✓ P31645 1/20 0.32
CDK2 P24941 2/20 0.42
GSK3B P49841 2/20 0.42
DYRK3 O43781 1/20 0.42
CDK1 P06493 1/20 0.42
CDK7 P50613 1/20 0.42
CDK5 Q00535 1/20 0.42
CAMK2G Q13555 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
PIM3 Q86V86 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
STK17A Q9UEE5 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
DYRK1B Q9Y463 1/20 0.42

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 SCHEMBL4058398 1.00 CDK2 (0.42) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4061600 0.94 CDK2 (0.47) CDK2GSK3BDYRK3CDK1CDK7
Fumaric Acid SCHEMBL4058486 0.85 CDK1 (0.44) CDK2GSK3BDYRK3CDK1CDK7
Fumaric Acid SCHEMBL4058491 0.85 CDK1 (0.44) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4059910 0.79 CDK1 (0.48) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4059965 0.75 CDK1 (0.49) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4066958 0.75 CDK1 (0.52) CDK2GSK3BDYRK3CDK1CDK7
Hydrochloric Acid SCHEMBL4060348 0.74 CDK1 (0.49) CDK2GSK3BDYRK3CDK1CDK7
Hydrochloric Acid SCHEMBL4063997 0.74 CDK1 (0.51) CDK2GSK3BDYRK3CDK1CDK7
Fumaric Acid SCHEMBL4057848 0.74 DYRK3 (0.46) CDK2GSK3BDYRK3CDK1CDK7

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP claimed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090149460-A1 New Compounds BERG STEFAN 2009-06-11 US disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1961748-A2 2-hydroxy-3-heteroarylindole derivatives as GSK3 inhibitors AstraZeneca AB (SE) 2008-08-27 EP disclosed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US disclosed
US-20050153987-A1 Compounds ASTRAZENECA AB (SE) 2005-07-14 US disclosed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP disclosed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 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 (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-20090149460-A1 New Compounds SDHA, CYP11B2, SERPINB1 FLT3 1688/4885MEN1 1000/4885KMT2A 4694/4885
US-20050153987-A1 Compounds SDHA, CYP11B2, CYP11B1 FLT3 1457/4885MEN1 868/4885KMT2A 4483/4885

“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.