Fumaric Acid

Fumaric Acid

SCHEMBL4671405

O=C(O)/C=C/C(=O)O.O=C(O)C=CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 2/20 0.43
▸ MEN1 known ✓ O00255 1/20 0.43
▸ TSHR P16473 4/20 1.00
▸ TP53 P04637 1/20 1.00
▸ EGLN1 Q9GZT9 1/20 1.00
▸ EGLN3 Q9H6Z9 1/20 1.00
▸ HCAR2 Q8TDS4 4/20 0.53
▸ GABRR1 P24046 2/20 0.47
▸ GABRR2 P28476 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ GABRR3 A8MPY1 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
Maleic Acid SCHEMBL613 1.00 — —
Fumaric Acid SCHEMBL650322 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL2046430 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL8364460 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL2046432 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Maleic Acid SCHEMBL20487516 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL1331192 1.00 — —
Fumaric Acid SCHEMBL8364461 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL623596 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2
Fumaric Acid SCHEMBL2046433 1.00 TSHR (1.00) TSHRTP53EGLN1EGLN3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177166-B1 PROCESS FOR PREPARING (1R,2S,4R) -(-)-2- (2'- N,N-DIMETHYLAMINO -ETHOXY) -2- PHENYL -1,7,7-TRI- METHYL -BICYCLO 2.2.1 HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2008-02-20 — — EP disclosed
EP-1177167-B1 HIGH PURITY (1R, 2S, 4R)-(-)-2-[(2'-(N,N-DIMETHYLAMINO)-ETHOXY)]-2-[PHENYL]-1,7,7-TRI-[METHYL]-BICYCLO[2.2.1]HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND MEDICAMENTS CONTAINING THEM. EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-10-22 — — EP disclosed
US-6624201-B2 For use in anxiolytic agents ORION CORPORATION (FI) 2003-09-23 — — US disclosed
EP-1052243-B1 Process for preparing (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-07-30 — — EP disclosed
EP-1052245-B1 High purity (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof, process for the preparation of these compounds and medicaments containing them EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-04-16 — — EP disclosed
US-20020040164-A1 High purity (1R, 2S, 4R) -(-) -2- [ (2' -{N,N-dimethylamino} -ethoxy) ] -2- [phenyl] -1, 7,7 -tri - [methyl] -bicyclo [2.2.1] heptane and pharmaceutically acceptable acid addition salts thereof and a process for the preparation of these compounds as well as medicaments containing 1 or more of these compounds and their use EGIS GYOGYSZERGYAR RT (HU) 2002-04-04 — — US disclosed
EP-1177166-A2 PROCESS FOR PREPARING (1R,2S,4R) -(-)-2- (2'- N,N-DIMETHYLAMINO -ETHOXY)] -2- PHENYL] -1,7,7-TRI- METHYL] -BICYCLO 2.2.1] HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF EGIS GYOGYSZERGYAR (HU) 2002-02-06 — — EP disclosed
EP-1177167-A2 HIGH PURITY (1R, 2S, 4R)-(-)-2-[(2'-(N,N-DIMETHYLAMINO)-ETHOXY)]-2-[PHENYL]-1,7,7-TRI-[METHYL]-BICYCLO[2.2.1]HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND MEDICAMENTS CONTAINING THEM. EGIS GYOGYSZERGYAR RT. (HU) 2002-02-06 — — EP disclosed
US-6335469-B1 COMPOUND CONTAINING NOT MORE THAN 0.2% OF (1R,3S,4R)-3-((2'-(N,N-DIMETHYLAMINO)-ETHYL))-1,7,7-TRIMETHYL -BICYCLO(2.2.1)HEPTANE-2-ONE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF ORION CORPORATION (FI) 2002-01-01 — — US disclosed
US-6242386-B1 DRUGS FORMED BY HYDROLYSIS OF CAMPHOR IN THE PRESENCE OF METALLORGANIC COMPOUNDS AND BASIC SALTS EGIS Gyógyszergyár Rt. (HU) 2001-06-05 — — US disclosed
WO-2000068183-A2 HIGH PURITY (1R,2S,4R)-(-)-2-[(2'-{N,N-DIMETHYLAMINO}-ETHOXY)]-2-[PHENYL]-1,7,7-TRI-[METHYL]-BICYCLO[2.2.1]HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND MEDICAMENTS CONTAINING THEM EGIS Gyógyszergyár Rt. (HU) 2000-11-16 — — WO disclosed
WO-2000068181-A2 PROCESS FOR PREPARING (1R,2S,4R) -(-)-2-[(2'- {N,N-DIMETHYLAMINO} -ETHOXY)] -2-[PHENYL] -1,7,7-TRI- [METHYL] -BICYCLO [2.2.1] HEPTANE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALTS THEREOF EGIS Gyógyszergyár Rt. (HU) 2000-11-16 — — WO disclosed
EP-1052243-A2 Process for preparing (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof EGIS GYOGYSZERGYAR RT. (HU) 2000-11-15 — — EP disclosed
EP-1052245-A2 High purity (1R, 2S, 4R)-(-)-2-[(2'-(N,N-dimethylamino)-ethoxy)]-2-[phenyl]-1,7,7-tri-[methyl]-bicyclo[2.2.1]heptane and pharmaceutically acceptable acid addition salts thereof, process for the preparation of these compounds and medicaments containing them EGIS GYOGYSZERGYAR RT. (HU) 2000-11-15 — — 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-20020040164-A1 High purity (1R, 2S, 4R) -(-) -2- [ (2' -{N,N-dimethylamino} -ethoxy) ] -2- [phenyl] -1, 7,7 -tri - [methyl] -bicyclo [2.2.1] heptane and pharmaceutically acceptable acid addition salts thereof and a process for the preparation of these compounds as well as medicaments containing 1 or more of these compounds and their use SLC7A1, ABCB11, PKD1 KMT2A 1713/4885MEN1 341/4885TSHR 4553/4885

“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.

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