Fumaric Acid

Fumaric Acid

SCHEMBL2728233

CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(/C=N/OCCCN)CCC[C@]21C.O=C(O)/C=C/C(=O)O

nearest known ligand 0.54

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 3/20 0.53
▸ KMT2A known ✓ Q03164 3/20 0.53
▸ KARS1 Q15046 4/20 0.54
▸ RXRA P19793 1/20 0.54
▸ CCNE1 P24864 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ RXRB P28702 1/20 0.54
▸ RXRG P48443 1/20 0.54
▸ CYP3A4 P08684 4/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TSHR P16473 2/20 0.52
▸ PDK1 Q15118 1/20 0.52
▸ PDK2 Q15119 1/20 0.52
▸ PDK3 Q15120 1/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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 SCHEMBL15389444 1.00 KARS1 (0.54) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2728234 1.00 KARS1 (0.54) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2727940 0.98 KARS1 (0.53) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL15389438 0.98 KARS1 (0.53) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2727937 0.98 KARS1 (0.53) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2729901 0.95 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL2729902 0.95 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB
Fumaric Acid SCHEMBL15899533 0.95 KARS1 (0.55) KARS1RXRACCNE1CDK2RXRB
SCHEMBL2728721 0.87 KARS1 (0.59) KARS1RXRACCNE1CDK2RXRB
SCHEMBL2728719 0.87 KARS1 (0.59) KARS1RXRACCNE1CDK2RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822692-B2 Diterpenoid derivatives endowed of biological properties SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE, S.P.A. (IT) 2014-09-02 — — US disclosed
EP-2632892-B1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA TAU IND FARMACEUTI (IT) 2014-07-30 — — EP disclosed
US-20130310423-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-11-21 — — US disclosed
EP-2632892-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2013-09-04 — — EP disclosed
WO-2012055894-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-05-03 — — 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-20130310423-A1 DITERPENOID DERIVATIVES ENDOWED OF BIOLOGICAL PROPERTIES PTGIS, CYP11B2, CYP11B1 MEN1 2276/4885KMT2A 4440/4885KARS1 4322/4885

“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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