Itaconate

Itaconate

SCHEMBL2638844

C=C(C)C(=O)OCCc1cccc(C(=O)O)c1C(=O)O.C=C(CC(=O)O)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FOLH1 Q04609 3/20 0.36
THRB P10828 1/20 0.34
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
CLCN2 P51788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
EP300 Q09472 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT5 Q92993 1/20 0.32
SAE1 Q9UBE0 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
SCHEMBL36344 0.91 POLB (0.43) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL5442445 0.83 POLB (0.47) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL5441216 0.82 POLB (0.49) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL6323141 0.81 FOLH1 (0.58) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL6231696 0.81 POLB (0.34) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL9109022 0.81 POLB (0.34) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL9109026 0.81 POLB (0.34) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL21112016 0.79 FOLH1 (0.50) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL19611833 0.79 FOLH1 (0.40) HTTPOLBAPEX1TDP1FOLH1
SCHEMBL28325652 0.78 THRB (0.35) HTTPOLBAPEX1TDP1FOLH1

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
JP-4791042-B2 2011-10-12 JP claimed
EP-1569512-B1 PARTICULATE SUSPENSIONS SYNGENTA LTD (GB) 2007-02-28 EP claimed
US-20060116290-A1 Particulate suspensions SYNGENTA CROP PROTECTION, INC. 2006-06-01 US claimed
EP-1569512-A2 PARTICULATE SUSPENSIONS Syngenta Limited (GB) 2005-09-07 EP claimed
WO-2004052099-A2 PARTICULATE SUSPENSIONS SYNGENTA LIMITED (GB) 2004-06-24 WO claimed

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-20060116290-A1 Particulate suspensions PFAS, VCL, JMJD7 HTT 1259/4885POLB 901/4885APEX1 1537/4885

“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.