SCHEMBL29633853

SCHEMBL29633853

CN(OC1CCCCO1)C(=O)c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ROCK2 O75116 2/20 0.37
REN P00797 1/20 0.36
MLYCD O95822 1/20 0.36
MDM2 Q00987 1/20 0.36
TLR2 O60603 2/20 0.36

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
SCHEMBL30278713 0.93 ITGB1 (0.40) ITGB1ITGA4TLR2
SCHEMBL22092100 0.93 ITGB1 (0.40) ITGB1ITGA4TLR2
SCHEMBL22108753 0.93 ITGB1 (0.40) ITGB1ITGA4TLR2
SCHEMBL30278735 0.93 ITGB1 (0.40) ITGB1ITGA4TLR2
SCHEMBL29633687 0.93 TLR2 (0.37) MDM4TP53RENMDM2TLR2
SCHEMBL22109018 0.92 ITGB1 (0.45) MDM4TP53ITGB1ITGA4MDM2
SCHEMBL30278738 0.92 ITGB1 (0.45) MDM4TP53ITGB1ITGA4MDM2
SCHEMBL29633818 0.92 ITGB1 (0.45) MDM4TP53ITGB1ITGA4MDM2
SCHEMBL22109019 0.92 ITGB1 (0.45) MDM4TP53ITGB1ITGA4MDM2
SCHEMBL29634063 0.86 ITGB3 (0.33) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 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 (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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR MDM4 381/4885TP53 1369/4885ITGB1 4860/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR MDM4 381/4885TP53 1369/4885ITGB1 4860/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR MDM4 381/4885TP53 1369/4885ITGB1 4860/4885

“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.