Fumaric Acid

Fumaric Acid

SCHEMBL4126583

CNCc1cc(S(=O)(=O)c2cccnc2)c(-c2ccccc2F)s1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.40

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
KMT2A known ✓ Q03164 1/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 10/20 0.37
TBXAS1 P24557 2/20 0.36
HTR6 P50406 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
VNN1 O95497 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34

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 SCHEMBL4126588 1.00 GAA (0.40) GAAKMT2ANAMPTTBXAS1HTR6
Fumaric Acid SCHEMBL3651794 0.90 TBXAS1 (0.36) KMT2ANAMPTTBXAS1HTR6ABCC9
Fumaric Acid SCHEMBL3651792 0.90 TBXAS1 (0.36) KMT2ANAMPTTBXAS1HTR6ABCC9
Fumaric Acid SCHEMBL3650347 0.87 TBXAS1 (0.36) KMT2ANAMPTTBXAS1HTR6SMN1; SMN2
Fumaric Acid SCHEMBL3650341 0.87 TBXAS1 (0.36) KMT2ANAMPTTBXAS1HTR6SMN1; SMN2
Fumaric Acid SCHEMBL3651233 0.86 KMT2A (0.40) GAAKMT2ANAMPTTBXAS1NPC1
Fumaric Acid SCHEMBL3651229 0.86 KMT2A (0.40) GAAKMT2ANAMPTTBXAS1NPC1
SCHEMBL3652974 0.82 CYP2A6 (0.39) GAAKMT2ANAMPTHTR6ABCC9
SCHEMBL4129262 0.81 KMT2A (0.39) GAAKMT2ANAMPTTBXAS1NPC1
SCHEMBL4129256 0.81 NAMPT (0.39) GAAKMT2ANAMPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 KMT2A 4776/4885GAA 7/4885NAMPT 2129/4885

“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.