Fumaric Acid

Fumaric Acid

SCHEMBL4134743

CNCc1cc(S(=O)(=O)c2cncc(F)c2)n(-c2ccccc2Cl)n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.36

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
REN known ✓ P00797 2/20 0.36
KCNH2 known ✓ Q12809 1/20 0.33
MEN1 known ✓ O00255 1/20 0.32
KMT2A known ✓ Q03164 1/20 0.32
P2RX7 Q99572 1/20 0.35
NAMPT P43490 2/20 0.35
CYP2C9 P11712 1/20 0.35
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR6 P50406 1/20 0.33
CNR1 P21554 3/20 0.33
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
NPC1 O15118 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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 SCHEMBL4134751 1.00 REN (0.36) RENP2RX7NAMPTCYP2C9TMEM97
Fumaric Acid SCHEMBL4137848 0.89 CNR1 (0.36) RENNAMPTCNR1SLC16A3SLC16A1
Fumaric Acid SCHEMBL4137854 0.89 CNR1 (0.36) RENNAMPTCNR1SLC16A3SLC16A1
Fumaric Acid SCHEMBL4131538 0.87 SLC16A3 (0.36) RENNAMPTHTR6CNR1SLC16A3
Fumaric Acid SCHEMBL4131542 0.87 SLC16A3 (0.36) RENNAMPTHTR6CNR1SLC16A3
Fumaric Acid SCHEMBL4131318 0.84 NAMPT (0.35) NAMPTCYP2C9CNR1SLC16A3SLC16A1
Fumaric Acid SCHEMBL4131328 0.84 NAMPT (0.35) NAMPTCYP2C9CNR1SLC16A3SLC16A1
Fumaric Acid SCHEMBL3701699 0.84 NAMPT (0.37) P2RX7NAMPTCACNA1GCACNA1H
Fumaric Acid SCHEMBL3701692 0.84 NAMPT (0.37) P2RX7NAMPTCACNA1GCACNA1H
Fumaric Acid SCHEMBL3691572 0.82 SLC16A3 (0.36) P2RX7HTR6CNR1SLC16A3SLC16A1

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 REN 1158/4885KCNH2 3538/4885MEN1 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.