Fumaric Acid

Fumaric Acid

SCHEMBL956032

CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2.O=C(O)C=CC(=O)O

nearest known ligand 0.90

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 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5453985 0.95 ALDH1A1 (0.51) ALDH1A1
SCHEMBL7902218 0.95 ALDH1A1 (0.51) ALDH1A1
SCHEMBL8102931 0.93 ALDH1A1 (0.49) ALDH1A1
SCHEMBL8110849 0.93 ALDH1A1 (0.52) ALDH1A1
SCHEMBL8112485 0.92 ALDH1A1 (0.48) ALDH1A1
SCHEMBL8117682 0.92 ALDH1A1 (0.51) ALDH1A1
SCHEMBL956031 0.92 ALDH1A1 (0.45) ALDH1A1
SCHEMBL8103055 0.90 ALDH1A1 (0.47) ALDH1A1
Fumaric Acid SCHEMBL956029 0.89
SCHEMBL8111916 0.88 ALDH1A1 (0.54) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906919-B2 Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers OZTEO PTY LTD (AU) 2014-12-09 US claimed
US-20120172363-A1 Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers Ozleo Pty Ltd (AU) 2012-07-05 US claimed
US-6191281-B1 CRYSTALS OF A SALT OF (S)-(-)-2-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-3-(3-(N-METHYL-N -(2-(3,4-METHYLENEDIOXYPHENOXY)ETHYL)AMINO)PROPYL)-1, 3-THIAZOLIDINE-4-ONE, USEFUL AS ANTIISCHEMIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-20 US claimed
EP-0974591-A1 CRYSTALLINE FUMARATE OF 2-PHENYL-1,3-THIAZOLIDINE-4-ON DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-01-26 EP claimed
US-8906919-B2 Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers OZTEO PTY LTD (AU) 2014-12-09 US disclosed
US-20120172363-A1 Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers Ozleo Pty Ltd (AU) 2012-07-05 US disclosed
EP-2453893-A1 TREATMENT OF NON-NEURONAL AND NON-MYOCARDIAL CELL, TISSUE AND ORGAN DAMAGE AND ASSOCIATED PAIN WITH PERSISTENT SODIUM CURRENT BLOCKERS Ozteo Pty Ltd (AU) 2012-05-23 EP disclosed
WO-2011003129-A1 TREATMENT OF NON-NEURONAL AND NON-MYOCARDIAL CELL, TISSUE AND ORGAN DAMAGE AND ASSOCIATED PAIN WITH PERSISTENT SODIUM CURRENT BLOCKERS OZTEO PTY LTD (AU) 2011-01-13 WO disclosed
US-6191281-B1 CRYSTALS OF A SALT OF (S)-(-)-2-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-3-(3-(N-METHYL-N -(2-(3,4-METHYLENEDIOXYPHENOXY)ETHYL)AMINO)PROPYL)-1, 3-THIAZOLIDINE-4-ONE, USEFUL AS ANTIISCHEMIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-20 US disclosed
EP-0974591-A1 CRYSTALLINE FUMARATE OF 2-PHENYL-1,3-THIAZOLIDINE-4-ON DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-01-26 EP 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-20120172363-A1 Treatment of non-neuronal and non-myocardial cell, tissue and organ damage and associated pain with persistent sodium current blockers TNNI3, TNNC1, HCN4 ALDH1A1 1776/4885

“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.