SCHEMBL29633879

SCHEMBL29633879

COc1cc(CC(C(=O)O)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.39
ITGA4 P13612 6/20 0.39
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
FABP5 Q01469 1/20 0.34
CTSD P07339 4/20 0.33
HPGD P15428 1/20 0.32
PTPN1 P18031 1/20 0.32
ITGB7 P26010 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL29633936 0.92 ITGB1 (0.34) ITGB1ITGA4FABP5CTSDHPGD
SCHEMBL29633932 0.88 ITGB1 (0.33) ITGB1ITGA4FABP5HPGD
SCHEMBL22108653 0.85 ITGB1 (0.48) ITGB1ITGA4PTPN1ITGB7
SCHEMBL29633885 0.85 ITGB1 (0.48) ITGB1ITGA4PTPN1ITGB7
SCHEMBL22108655 0.85 ITGB1 (0.48) ITGB1ITGA4PTPN1ITGB7
SCHEMBL22108650 0.83 ITGB1 (0.42) ITGB1ITGA4PTPN1
SCHEMBL22108651 0.83 ITGB1 (0.42) ITGB1ITGA4PTPN1
SCHEMBL30278708 0.83 ITGB1 (0.42) ITGB1ITGA4PTPN1
SCHEMBL29633725 0.83 FABP5 (0.41) ITGB3ITGA2BFABP5HPGDPTPN1
SCHEMBL29633956 0.81 ITGB1 (0.42) ITGB1ITGA4PTPN1

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 ITGB1 4860/4885ITGA4 4597/4885ITGB3 4722/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ITGB1 4860/4885ITGA4 4597/4885ITGB3 4722/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ITGB1 4860/4885ITGA4 4597/4885ITGB3 4722/4885

“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.