Fumaric Acid

Fumaric Acid

SCHEMBL1504898

C[C@@H](NCC=Cc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O

nearest known ligand 0.51

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
SLC6A2 known ✓ P23975 2/20 0.51
HTR2C known ✓ P28335 2/20 0.51
SLC6A4 known ✓ P31645 2/20 0.51
MLNR known ✓ O43193 1/20 0.51
ADRB1 known ✓ P08588 1/20 0.51
DRD2 known ✓ P14416 1/20 0.51
CHRM3 known ✓ P20309 1/20 0.51
HRH1 known ✓ P35367 1/20 0.51
KCNH2 known ✓ Q12809 1/20 0.51
HTR2A known ✓ P28223 1/20 0.50
HTR2B known ✓ P41595 1/20 0.50
MEN1 known ✓ O00255 2/20 0.46
KMT2A known ✓ Q03164 2/20 0.46
CASR P41180 4/20 0.51
ADRA2C P18825 2/20 0.51
OPRM1 P35372 2/20 0.51
DRD3 P35462 2/20 0.51
HTT P42858 2/20 0.51
ABCB11 O95342 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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 SCHEMBL1504902 1.00 CASR (0.51) CASRADRA2CSLC6A2HTR2CSLC6A4
Fumaric Acid SCHEMBL1504896 1.00 CASR (0.51) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1331214 0.92 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1491266 0.92 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1331216 0.92 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
SCHEMBL1491268 0.92 CASR (0.58) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL2873629 0.91 CASR (0.59) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL2873634 0.91 CASR (0.59) CASRADRA2CSLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL1505053 0.91 CASR (0.59) CASRADRA2CSLC6A2HTR2CSLC6A4
Bromide SCHEMBL1504864 0.91 CASR (0.57) CASRADRA2CSLC6A2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759586-B2 Processes for the preparation of cinacalcet RANBAXY LABORATORIES LIMITED (IN) 2014-06-24 US disclosed
US-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2012-12-06 US disclosed
EP-2477959-A1 PROCESSES FOR THE PREPARATION OF CINACALCET Ranbaxy Laboratories Limited (IN) 2012-07-25 EP disclosed
WO-2011033473-A1 PROCESSES FOR THE PREPARATION OF CINACALCET RANBAXY LABORATORIES LIMITED (IN) 2011-03-24 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 (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-20120309842-A1 PROCESSES FOR THE PREPARATION OF CINACALCET CA4, SI, CA9 SLC6A2 968/4885HTR2C 4576/4885SLC6A4 706/4885

“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.