Fumaric Acid

Fumaric Acid

SCHEMBL5528753

CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN(CCO)Cc3cccc(CC(=O)O)c3)c2n1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.56

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 1)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.56

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 SCHEMBL5528766 1.00 TLR7 (0.56) TLR7
SCHEMBL5530824 0.96 TLR7 (0.60) TLR7
SCHEMBL4126391 0.94 TLR7 (0.60) TLR7
SCHEMBL5524578 0.92 TLR7 (0.61) TLR7
SCHEMBL4130549 0.91 TLR7 (0.60) TLR7
SCHEMBL5528759 0.90 TLR7 (0.60) TLR7
SCHEMBL9936854 0.90 TLR7 (0.62) TLR7
Fumaric Acid SCHEMBL2387849 0.90 TLR7 (0.59) TLR7
Fumaric Acid SCHEMBL2387837 0.90 TLR7 (0.59) TLR7
SCHEMBL12048762 0.89 TLR7 (0.71) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 — — EP disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 — — US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 — — US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 — — US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 — — US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US disclosed
EP-1728793-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 — — EP 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 (3 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-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND IFNAR1, IL5, IFNG TLR7 8/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG TLR7 8/4885
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG TLR7 13/4885

“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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