Fumaric Acid

Fumaric Acid

SCHEMBL20530228

CNCc1cn(S(=O)(=O)c2cccc(C)c2)c(-c2c(F)cccc2F)c1OC.O=C(O)/C=C/C(=O)O

nearest known ligand 0.39

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
▸ KMT2A known ✓ Q03164 1/20 0.32
▸ KAT6A Q92794 2/20 0.39
▸ HTR6 P50406 2/20 0.34
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32

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
SCHEMBL18196943 0.93 KAT6A (0.40) KAT6AHTR6ALDH1A1TUBB4ATUBB
SCHEMBL18196919 0.84 HTR6 (0.40) KAT6AHTR6SMN1; SMN2KMT2AMAPT
SCHEMBL18190930 0.83 LMNA (0.43) KAT6AHTR6ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL20530215 0.83 HTR6 (0.39) KAT6AHTR6SMN1; SMN2KMT2AMAPT
Hydrochloric Acid SCHEMBL20530234 0.82 LMNA (0.42) KAT6AHTR6ALDH1A1LMNAMAPT
SCHEMBL18190928 0.82 HTR6 (0.43) KAT6AHTR6ALDH1A1KMT2A
SCHEMBL18196934 0.82 ALDH3A1 (0.41) HTR6SMN1; SMN2ALDH1A1KMT2AMAPT
Abeprazan SCHEMBL19385619 0.82 HTR6 (0.37) HTR6HDAC1HDAC2HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL20530183 0.82 HTR6 (0.42) KAT6AHTR6ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL20530222 0.81 ALDH3A1 (0.40) HTR6SMN1; SMN2ALDH1A1KMT2AMAPT

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
EP-3197867-B1 NOVEL 4-METHOXY PYRROLE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2018-11-14 — — EP disclosed
US-10100010-B1 4-methoxy pyrrole derivatives or salts thereof and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-10-16 — — 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-10100010-B1 4-methoxy pyrrole derivatives or salts thereof and pharmaceutical composition comprising the same GIPR, GRPR, HTR3E KMT2A 3645/4885KAT6A 3538/4885HTR6 38/4885

“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.

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