SCHEMBL29633932

SCHEMBL29633932

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
CACNA1B Q00975 1/20 0.31
FABP5 Q01469 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
HTR4 Q13639 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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 0.94 ITGB1 (0.34) ITGB1ITGA4CACNA1BFABP5HPGD
SCHEMBL29633879 0.88 ITGB1 (0.39) ITGB1ITGA4FABP5HPGD
SCHEMBL29633859 0.87 CACNA1B (0.37) ITGB1ITGA4CACNA1B
SCHEMBL29633945 0.86 FABP5 (0.35) ITGA4FABP5HPGDMEN1KMT2A
SCHEMBL29633856 0.83 ITGB1 (0.40) ITGB1ITGA4CACNA1B
SCHEMBL29633956 0.82 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL29633852 0.81 FABP5 (0.39) FABP5KMT2A
SCHEMBL29633898 0.81 FABP5 (0.35) ITGA4FABP5KMT2AAAK1
SCHEMBL29634038 0.80 MGLL (0.31)
SCHEMBL29633688 0.79 CHRM5 (0.38) FABP5

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

“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.