Fumaric Acid

Fumaric Acid

SCHEMBL3870201

CNC(CCOc1ccc(Cl)cc1)c1ccc(OC(=O)N(C)C)cc1.O=C(O)C=CC(=O)O

nearest known ligand 0.65

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 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 2/20 0.65
MEN1 known ✓ O00255 1/20 0.39
KMT2A known ✓ Q03164 1/20 0.39
PPARG known ✓ P37231 1/20 0.39
HRH3 known ✓ Q9Y5N1 1/20 0.38
ACHE P22303 2/20 0.65
BLM P54132 1/20 0.40
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
UTS2R Q9UKP6 3/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
PPARA Q07869 1/20 0.39

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 SCHEMBL3870204 1.00 ACHE (0.65) ACHESLC6A4BLMLMNAPMP22
Fumaric Acid SCHEMBL3870199 1.00 ACHE (0.65) ACHESLC6A4BLMLMNAPMP22
SCHEMBL3867266 0.94 ACHE (0.72) ACHESLC6A4BLMPMP22UTS2R
SCHEMBL3864804 0.94 ACHE (0.72) ACHESLC6A4BLMPMP22UTS2R
Hydrochloric Acid SCHEMBL3863777 0.92 ACHE (0.71) ACHESLC6A4BLMPMP22UTS2R
Hydrochloric Acid SCHEMBL3867290 0.92 ACHE (0.71) ACHESLC6A4BLMPMP22UTS2R
Hydrochloric Acid SCHEMBL3863781 0.92 ACHE (0.71) ACHESLC6A4BLMPMP22UTS2R
Hydrochloric Acid SCHEMBL3870732 0.87 ACHE (0.64) ACHESLC6A4BLMPMP22UTS2R
Fumaric Acid SCHEMBL3865190 0.86 ACHE (0.89) ACHESLC6A4
Fumaric Acid SCHEMBL3865183 0.86 ACHE (0.89) ACHESLC6A4

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
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 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 (3 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-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 SLC6A4 25/4885MEN1 2666/4885KMT2A 1769/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 SLC6A4 3/4885MEN1 2911/4885KMT2A 2169/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 SLC6A4 38/4885MEN1 2193/4885KMT2A 2769/4885

“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.