Fumaric Acid

Fumaric Acid

SCHEMBL3055227

CCOc1ccc(CN2CCN(C(=O)c3cc4cc(Oc5ccc(N(C)C(=O)c6ccc(Cl)c(Cl)c6)cn5)ccc4n3C)CC2)nc1.O=C(O)C=CC(=O)O

nearest known ligand 0.41

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 7)

geneUniProtsupporting neighboursconfidence
PIK3CA known ✓ P42336 3/20 0.41
HRH3 known ✓ Q9Y5N1 2/20 0.38
MLNR known ✓ O43193 2/20 0.37
PRKAA2 P54646 3/20 0.41
STAT3 P40763 11/20 0.36
LTA4H P09960 1/20 0.35
SCN9A Q15858 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
Maleic Acid SCHEMBL10180525 1.00 PIK3CA (0.41) PIK3CAPRKAA2HRH3MLNRSTAT3
Fumaric Acid SCHEMBL3067431 0.94 PIK3CA (0.41) PIK3CAPRKAA2HRH3MLNRSTAT3
Maleic Acid SCHEMBL3067428 0.94 PIK3CA (0.41) PIK3CAPRKAA2HRH3MLNRSTAT3
Maleic Acid SCHEMBL3057423 0.91 PKM (0.40) PIK3CAPRKAA2HRH3MLNRSTAT3
Fumaric Acid SCHEMBL3057426 0.91 PKM (0.40) PIK3CAPRKAA2HRH3MLNRSTAT3
Fumaric Acid SCHEMBL3054567 0.90 STAT3 (0.45) PIK3CAPRKAA2STAT3SCN9A
Maleic Acid SCHEMBL3054564 0.90 STAT3 (0.45) PIK3CAPRKAA2STAT3SCN9A
Fumaric Acid SCHEMBL3069662 0.89 STAT3 (0.45) PIK3CAPRKAA2HRH3STAT3
Maleic Acid SCHEMBL3069658 0.89 STAT3 (0.45) PIK3CAPRKAA2HRH3STAT3
Maleic Acid SCHEMBL3062041 0.89 STAT3 (0.42) PIK3CAPRKAA2MLNRSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 PIK3CA 3582/4885HRH3 19/4885MLNR 3041/4885

“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.