SCHEMBL22444585

SCHEMBL22444585

CNC(Cc1ccc(C(=O)NOC2CCCCO2)c(OC)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.45
ITGA4 P13612 8/20 0.45
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LDHA P00338 1/20 0.37
ITGB7 P26010 3/20 0.36
CTSD P07339 3/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
EPHX2 P34913 1/20 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
SCHEMBL22444695 0.91 ITGB1 (0.40) ITGB1ITGA4HPGDKDM4ECCNA2
SCHEMBL22444866 0.89 TPH1 (0.44) ITGB1ITGA4HPGDKDM4ELDHA
SCHEMBL29633723 0.83 HPGD (0.39) ITGB1ITGA4HPGDKDM4EEPHX2
SCHEMBL30854477 0.83 MEN1 (0.42) ITGB1ITGA4HPGDKDM4E
SCHEMBL22108655 0.82 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL29633885 0.82 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL22108653 0.82 ITGB1 (0.48) ITGB1ITGA4ITGB7
SCHEMBL30928883 0.81 MEN1 (0.42) HPGDKDM4EEPHX2
SCHEMBL22454529 0.79 HPGD (0.43) HPGDKDM4E
SCHEMBL22108650 0.78 ITGB1 (0.42) 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 4 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
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 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 (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 4597/4885HPGD 1929/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ITGB1 4860/4885ITGA4 4597/4885HPGD 1929/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ITGB1 4860/4885ITGA4 4597/4885HPGD 1929/4885

“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.