Fumaric Acid

Fumaric Acid

SCHEMBL1276359

CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccc(F)c(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)sc56)c4)CC3)C2)cs1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.77

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 7)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 12/20 0.77
CHRM3 known ✓ P20309 9/20 0.77
CHRM2 known ✓ P08172 8/20 0.51
ADRB1 known ✓ P08588 8/20 0.45
DRD2 known ✓ P14416 6/20 0.45
ADRA1D P25100 6/20 0.45
DRD3 P35462 1/20 0.40

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 SCHEMBL2143201 1.00 ADRB2 (0.77) ADRB2CHRM3CHRM2ADRB1DRD2
Fumaric Acid SCHEMBL2143189 1.00 ADRB2 (0.77) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL1276374 0.97 ADRB2 (0.81) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL1276054 0.97 ADRB2 (0.81) ADRB2CHRM3CHRM2ADRB1DRD2
Trifluoroacetic Acid SCHEMBL12095969 0.95 ADRB2 (0.77) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10241928 0.93 ADRB2 (0.74) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10242229 0.91 ADRB2 (0.71) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10242789 0.90 ADRB2 (0.72) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL1289938 0.90 ADRB2 (0.71) ADRB2CHRM3CHRM2ADRB1DRD2
SCHEMBL10241948 0.89 ADRB2 (0.68) ADRB2CHRM3CHRM2ADRB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP claimed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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 (2 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 ADRB2 1366/4885CHRM3 4265/4885CHRM2 3668/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 ADRB2 218/4885CHRM3 2714/4885CHRM2 2419/4885

“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.