Fumaric Acid

Fumaric Acid

SCHEMBL6701770

O=C(O)C=CC(=O)O.OC1CCCC1N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1

nearest known ligand 0.87

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 10)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 1/20 0.48
MAPK11 Q15759 19/20 0.87
MAPK14 Q16539 19/20 0.87
MAP4K4 O95819 1/20 0.48
PRKACA P17612 1/20 0.48
FRK P42685 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
MINK1 Q8N4C8 1/20 0.48

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 SCHEMBL6701760 1.00 MAPK11 (0.87) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL6173737 0.93 MAPK11 (1.00) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL6701766 0.85 MAPK11 (0.72) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL14411732 0.83 MAPK11 (0.75) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL14411731 0.81 MAPK11 (0.74) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL6210836 0.79 MAPK11 (0.77) MAPK11MAPK14
SCHEMBL6210833 0.79 MAPK11 (0.77) MAPK11MAPK14
SCHEMBL14411594 0.78 MAPK11 (0.77) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL14411590 0.78 MAPK11 (0.71) MAPK11MAPK14MAP4K4EGFRPRKACA
SCHEMBL185300 0.77 MAPK11 (1.00) MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082551-A1 Novel pyrazoles and their use as p38 kinase inhibitors PHARMACIA CORPORATION 2004-04-29 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-20040082551-A1 Novel pyrazoles and their use as p38 kinase inhibitors MAPK1, MAPK3, MAP3K1 EGFR 4458/4885MAPK11 42/4885MAPK14 31/4885

“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.