Fumaric Acid

Fumaric Acid

SCHEMBL30856933

NC(=O)c1cnc(NC2CCOCC2)cn1.NC(=O)c1cnc(NC2CCOCC2)cn1.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 18)

geneUniProtsupporting neighboursconfidence
FLT3 known ✓ P36888 1/20 0.38
HCAR3 P49019 3/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCNE1 P24864 5/20 0.40
CDK2 P24941 5/20 0.40
PDE4B Q07343 1/20 0.38
MAPK1 P28482 5/20 0.38
MAPK3 P27361 2/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
CCR7 P32248 1/20 0.37
CCR6 P51684 1/20 0.37
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL29944834 0.92 HDAC3 (0.46) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL2817349 0.92 HDAC3 (0.46) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL29582918 0.85 HCAR3 (0.49) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL16048397 0.85 HCAR3 (0.49) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL17075516 0.84 HCAR3 (0.48) HCAR3HDAC3HDAC1HDAC2HDAC6
Lithium Ion SCHEMBL17075514 0.78 HDAC3 (0.45) HCAR3HDAC3HDAC1HDAC2HDAC6
SCHEMBL3628624 0.78 HCAR3 (0.50) HCAR3MAPK1CCR7CCR6
SCHEMBL3628627 0.78 HCAR3 (0.50) HCAR3MAPK1CCR7CCR6
SCHEMBL1936258 0.77 HCAR3 (0.49) HCAR3FLT3CCR7CCR6
SCHEMBL1936260 0.77 HCAR3 (0.49) HCAR3FLT3CCR7CCR6

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-11938132-B2 Stable pharmaceutical composition for oral administration ASTELLAS PHARMA INC. (JP) 2024-03-26 US claimed

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-11938132-B2 Stable pharmaceutical composition for oral administration H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC20A1, RCC1 FLT3 2633/4885HCAR3 2625/4885HDAC3 217/4885

“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.