Fumaric Acid

Fumaric Acid

SCHEMBL9103152

CC(N)C#N.CCCc1[nH]c(=O)oc1-c1ccncc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.40

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.30
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ECE1 P42892 1/20 0.32
MUS81 Q96NY9 1/20 0.32
CDC7 O00311 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ITK Q08881 1/20 0.30

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 SCHEMBL9103156 1.00 PDE3B (0.40) PDE3BPDE3AECE1MUS81CDC7
SCHEMBL8846 0.80 PDE3B (0.46) PDE3BPDE3ACDC7CDK5CDK5R1
Fumaric Acid SCHEMBL8162 0.63 GABRP (0.52) ALDH1A1
Fumaric Acid SCHEMBL138088 0.63 GABRP (0.52) ALDH1A1
SCHEMBL7269315 0.60 PDE3B (0.49) PDE3BPDE3ACDC7CDK5MAPT
SCHEMBL9360794 0.58 ELANE (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10910752 0.57 PDE3A (1.00) PDE3BPDE3ACDK5CDK5R1ALDH1A1
SCHEMBL11234483 0.57 PDE3B (0.62) PDE3BPDE3ACDC7CDK5CDK5R1
SCHEMBL7278194 0.57 NOTUM (0.45) PDE3BPDE3ACDC7
SCHEMBL7415425 0.57 ELANE (0.44) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9821039-B2 Albumin fusion proteins ALBUMEDIX A/S (DK) 2017-11-21 US disclosed
US-20120141449-A1 Albumin Fusion Proteins DELTA BIOTECHNOLOGY LIMITED 2012-06-07 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 (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-20120141449-A1 Albumin Fusion Proteins ALB, FABP1, HDGF SLC6A2 2730/4885PDE3B 4716/4885PDE3A 4769/4885

“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.