SCHEMBL23332010

SCHEMBL23332010

C=C(CC(=O)OC)C(=O)Oc1ccc(C[C@H](N)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.47
LAP3 P28838 1/20 0.46
SLC15A1 P46059 1/20 0.43
ABCB1 P08183 1/20 0.43
LNPEP Q9UIQ6 2/20 0.41
MAOB P27338 1/20 0.41
SLC7A5 Q01650 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL23306460 1.00 LTA4H (0.47) LTA4HLAP3SLC15A1ABCB1LNPEP
Trifluoroacetic Acid SCHEMBL30098486 0.95 LTA4H (0.43) LTA4HLAP3SLC15A1ABCB1LNPEP
Trifluoroacetic Acid SCHEMBL28836301 0.95 LTA4H (0.43) LTA4HLAP3SLC15A1ABCB1LNPEP
SCHEMBL23306466 0.91 LTA4H (0.47) LTA4HLAP3SLC15A1ABCB1LNPEP
SCHEMBL23332190 0.91 LTA4H (0.47) LTA4HLAP3SLC15A1ABCB1LNPEP
Trifluoroacetic Acid SCHEMBL30098504 0.87 LTA4H (0.43) LTA4HLAP3SLC15A1ABCB1LNPEP
Trifluoroacetic Acid SCHEMBL28836548 0.87 LTA4H (0.43) LTA4HLAP3SLC15A1ABCB1LNPEP
SCHEMBL23332011 0.84 TACR1 (0.46) LTA4HLAP3ABCB1MAOB
SCHEMBL24942191 0.81 LTA4H (0.55) LTA4HLAP3SLC15A1SLC7A5ALDH1A1
SCHEMBL23306289 0.80 REN (0.48) ABCB1

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
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-01-26 US disclosed
WO-2021087082-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 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-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 LTA4H 543/4885LAP3 2161/4885SLC15A1 767/4885

“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.