SCHEMBL29633859

SCHEMBL29633859

COc1cc(CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC(C)(C)C)ccc1C(=O)NOC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
MDM2 Q00987 1/20 0.36
PTPN1 P18031 2/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
TNF P01375 1/20 0.35
TLR2 O60603 2/20 0.35

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
SCHEMBL29633856 0.93 ITGB1 (0.40) CACNA1BITGB1ITGA4PTPN1MDM4
SCHEMBL29633956 0.92 ITGB1 (0.42) ITGB1ITGA4MDM2PTPN1MDM4
SCHEMBL22108651 0.87 ITGB1 (0.42) ITGB1ITGA4PTPN1TNFTLR2
SCHEMBL22108650 0.87 ITGB1 (0.42) ITGB1ITGA4PTPN1TNFTLR2
SCHEMBL30278708 0.87 ITGB1 (0.42) ITGB1ITGA4PTPN1TNFTLR2
SCHEMBL29633932 0.87 ITGB1 (0.33) CACNA1BITGB1ITGA4
SCHEMBL22108655 0.87 ITGB1 (0.48) ITGB1ITGA4MDM2PTPN1MDM4
SCHEMBL22108653 0.87 ITGB1 (0.48) ITGB1ITGA4MDM2PTPN1MDM4
SCHEMBL29633885 0.87 ITGB1 (0.48) ITGB1ITGA4MDM2PTPN1MDM4
SCHEMBL30278695 0.85 MDM4 (0.41) MDM2PTPN1MDM4TP53TNF

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 CACNA1B 3612/4885ITGB1 4860/4885ITGA4 4597/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CACNA1B 3612/4885ITGB1 4860/4885ITGA4 4597/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CACNA1B 3612/4885ITGB1 4860/4885ITGA4 4597/4885

“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.