Fumaric Acid

Fumaric Acid

SCHEMBL5990331

O=C(O)/C=C/C(=O)O.Oc1ccc2[nH]ncc2c1

nearest known ligand 0.48

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
MEN1 known ✓ O00255 1/20 0.46
KMT2A known ✓ Q03164 1/20 0.46
ROCK2 O75116 4/20 0.48
ROCK1 Q13464 4/20 0.48
CTNNB1 P35222 3/20 0.48
WNT3A P56704 3/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
ESR1 P03372 5/20 0.46
DYRK3 O43781 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
CDK5R1 Q15078 1/20 0.46
DYRK2 Q92630 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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 SCHEMBL5990339 1.00 ROCK2 (0.48) ROCK2ROCK1CTNNB1WNT3ARAB9A
Fumaric Acid SCHEMBL6361834 0.87 FGFR1 (0.57) RAB9ANPC1ESR1CLK2DYRK1A
Fumaric Acid SCHEMBL6361838 0.87 FGFR1 (0.57) RAB9ANPC1ESR1CLK2DYRK1A
SCHEMBL29520931 0.86 ROCK2 (0.59) ROCK2ROCK1CTNNB1WNT3ARAB9A
SCHEMBL277777 0.86 ROCK2 (0.59) ROCK2ROCK1CTNNB1WNT3ARAB9A
Hydrochloric Acid SCHEMBL27782875 0.84 ROCK2 (0.57) ROCK2ROCK1CTNNB1WNT3ARAB9A
SCHEMBL25228737 0.79 ESR1 (0.60) ESR1NEK2
Indazole SCHEMBL3410547 0.78 HSP90AA1 (0.68) ROCK2ROCK1CTNNB1WNT3ARAB9A
Indazole SCHEMBL3410555 0.78 HSP90AA1 (0.68) ROCK2ROCK1CTNNB1WNT3ARAB9A
Indazole SCHEMBL5215610 0.78 HSP90AA1 (0.68) ROCK2ROCK1CTNNB1WNT3ARAB9A

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-20060052431-A1 5-Hydroxy indazole derivatives for treating glaucoma MAY JESSE A 2006-03-09 US disclosed
US-7005443-B1 5-Hydroxy indazole derivatives for treating glaucoma ALCON, INC. (CH) 2006-02-28 US disclosed
EP-1268439-A1 5-HYDROXY INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA Alcon Inc. (CH) 2003-01-02 EP disclosed
WO-2001070701-A1 5-HYDROXY INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 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-20060052431-A1 5-Hydroxy indazole derivatives for treating glaucoma PTGIS, PTGIR, PDE3A MEN1 4099/4885KMT2A 4412/4885ROCK2 104/4885

“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.