Fumaric Acid

Fumaric Acid

SCHEMBL4131318

CNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2ccccc2Cl)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.35

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
SLC6A2 known ✓ P23975 1/20 0.34
SLC6A4 known ✓ P31645 1/20 0.34
MEN1 known ✓ O00255 1/20 0.33
KMT2A known ✓ Q03164 1/20 0.33
NAMPT P43490 9/20 0.35
SLC6A3 Q01959 1/20 0.34
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
FPR1 P21462 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33

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 SCHEMBL4131328 1.00 NAMPT (0.35) NAMPTSLC6A2SLC6A4SLC6A3SLC16A3
SCHEMBL3695531 0.93 SLC6A4 (0.39) NAMPTSLC6A2SLC6A4SLC6A3SLC16A3
Fumaric Acid SCHEMBL3704584 0.91 NAMPT (0.36) NAMPTSLC6A2SLC6A4SLC6A3SLC16A3
Fumaric Acid SCHEMBL3704583 0.91 NAMPT (0.36) NAMPTSLC6A2SLC6A4SLC6A3SLC16A3
Fumaric Acid SCHEMBL3706637 0.90 SLC16A3 (0.32) NAMPTSLC16A3SLC16A1FPR1
Fumaric Acid SCHEMBL4126776 0.90 NAMPT (0.35) NAMPTSMN1; SMN2ALDH1A1GAACYP2C9
Fumaric Acid SCHEMBL4126782 0.90 NAMPT (0.35) NAMPTSMN1; SMN2ALDH1A1GAACYP2C9
Fumaric Acid SCHEMBL4136246 0.89 NAMPT (0.38) NAMPTSLC16A3SLC16A1SMN1; SMN2MEN1
Fumaric Acid SCHEMBL4136237 0.89 NAMPT (0.38) NAMPTSLC16A3SLC16A1SMN1; SMN2MEN1
Fumaric Acid SCHEMBL3705828 0.89 P2RX7 (0.36) NAMPTSLC6A4SMN1; SMN2ALDH1A1CYP2C9

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 SLC6A2 3641/4885SLC6A4 3372/4885MEN1 1910/4885

“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.