Fumaric Acid

Fumaric Acid

SCHEMBL2599548

CC1NCCOC1(O)c1ccccc1.O=C(O)C=CC(=O)O

nearest known ligand 0.47

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 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 13/20 0.47
SLC6A3 known ✓ Q01959 12/20 0.47
DRD2 known ✓ P14416 1/20 0.35
SLC6A4 known ✓ P31645 5/20 0.35
ADRA1A known ✓ P35348 1/20 0.35
HTR2B known ✓ P41595 1/20 0.35
CHRNB2 P17787 11/20 0.47
CHRNB4 P30926 11/20 0.47
CHRNA3 P32297 11/20 0.47
CHRNA4 P43681 11/20 0.47
CHRNA1 P02708 10/20 0.40
CHRNB1 P11230 10/20 0.40
CHRNG P07510 9/20 0.40
CHRND Q07001 9/20 0.40
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 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 SCHEMBL2599546 1.00 SLC6A2 (0.47) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL2599510 0.90 SLC6A2 (0.55) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL2599574 0.86 SLC6A2 (0.52) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL2599572 0.86 SLC6A2 (0.52) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL2599506 0.86 CHRNB2 (0.52) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
Fumaric Acid SCHEMBL2599504 0.86 CHRNB2 (0.52) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL2599498 0.75 CHRNB2 (0.59) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL5385861 0.75 SLC6A2 (0.40) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL12186459 0.75 CHRNB2 (0.59) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL2599547 0.75 L3MBTL1 (0.36) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571858-B1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RES TRIANGLE INST (US) 2018-06-20 EP disclosed
US-9617229-B2 Phenylmorpholines and analogues thereof RESEARCH TRIANGLE INSTITUTE (US) 2017-04-11 US disclosed
US-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF NIH-DEITR 2013-08-08 US disclosed
EP-2571858-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF Research Triangle Institute (US) 2013-03-27 EP disclosed
WO-2011146850-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2011-11-24 WO 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-20130203752-A1 PHENYLMORPHOLINES AND ANALOGUES THEREOF PNMT, OPRL1, OPRM1 SLC6A2 5/4885SLC6A3 8/4885DRD2 61/4885

“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.