SCHEMBL29633902

SCHEMBL29633902

CCN(C(=O)OC(C)(C)C)C(Cc1ccc(C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ADORA1 P30542 1/20 0.35
HPGD P15428 2/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CPB2 Q96IY4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LY96 Q9Y6Y9 1/20 0.33
ATM Q13315 1/20 0.33
PSMB5 P28074 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL25185955 0.90 PPARG (0.39) ADORA1HPGDPPARGPPARAL3MBTL1
SCHEMBL30863429 0.87 SYK (0.41) ITGA4ITGB7L3MBTL1ATMHDAC3
SCHEMBL29633771 0.87 PSMB5 (0.35) ITGA4ITGB7ADORA1HPGDPPARG
SCHEMBL29633716 0.87 SYK (0.41) ITGA4ITGB7L3MBTL1ATMHDAC3
SCHEMBL10955821 0.83 ALDH1A1 (0.45) ITGA4ITGB7PPARGL3MBTL1ATM
SCHEMBL10955818 0.83 ALDH1A1 (0.45) ITGA4ITGB7PPARGL3MBTL1ATM
SCHEMBL30863407 0.82 PPARG (0.35) ITGA4ITGB7HPGDPPARGPPARA
SCHEMBL22454706 0.82 PPARG (0.35) HPGDPPARGPPARAMEN1ALDH1A1
SCHEMBL29633783 0.82 PPARG (0.35) HPGDPPARGPPARAMEN1ALDH1A1
SCHEMBL10604721 0.79 CTSS (0.43) ITGA4ITGB7HDAC3HDAC1HDAC2

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 ITGA4 4597/4885ITGB7 4579/4885ADORA1 2955/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ITGA4 4597/4885ITGB7 4579/4885ADORA1 2955/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ITGA4 4597/4885ITGB7 4579/4885ADORA1 2955/4885

“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.