Fumaric Acid

Fumaric Acid

SCHEMBL3058735

Cc1nc(-c2ccc(Cl)cc2)nn1CCC(C)(C)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2.O=C(O)C=CC(=O)O

nearest known ligand 0.58

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 2)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 19/20 0.58
ADRB1 known ✓ P08588 15/20 0.58

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 SCHEMBL3058731 1.00 ADRB2 (0.58) ADRB2ADRB1
Acetic Acid SCHEMBL3052061 0.95 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL1041347 0.95 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL524656 0.95 ADRB2 (0.64) ADRB2ADRB1
Maleic Acid SCHEMBL3051341 0.95 ADRB2 (0.56) ADRB2ADRB1
Fumaric Acid SCHEMBL3051345 0.95 ADRB2 (0.56) ADRB2ADRB1
Hydrochloric Acid SCHEMBL3983512 0.95 ADRB2 (0.63) ADRB2ADRB1
Bromide SCHEMBL3054283 0.94 ADRB2 (0.62) ADRB2ADRB1
Hydrochloric Acid SCHEMBL3059560 0.94 ADRB2 (0.62) ADRB2ADRB1
Benzoic Acid SCHEMBL3051704 0.93 ADRB2 (0.58) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US claimed

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-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 ADRB2 3/4885ADRB1 1/4885

“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.