SCHEMBL29633840

SCHEMBL29633840

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.43
ADRB1 P08588 4/20 0.43
FABP5 Q01469 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CASP3 P42574 1/20 0.36
THRB P10828 1/20 0.36
SCN9A Q15858 2/20 0.34
SCN7A Q01118 2/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL29633891 0.92 ADRB3 (0.42) ADRB3ADRB1FABP5KMT2ACASP3
SCHEMBL22091955 0.90 FABP5 (0.39) FABP5MEN1KMT2ATHRB
SCHEMBL22091956 0.90 FABP5 (0.39) FABP5MEN1KMT2ATHRB
SCHEMBL31369666 0.85 FABP5 (0.44) ADRB3ADRB1FABP5KMT2ATHRB
SCHEMBL29633873 0.85 FABP5 (0.44) ADRB3ADRB1FABP5KMT2ATHRB
SCHEMBL29633858 0.84 PPARA (0.40) FABP5KMT2ATHRB
SCHEMBL22444730 0.84 CASP3 (0.47) ADRB3ADRB1CASP3
SCHEMBL29633794 0.82 CHRM5 (0.42) ADRB3ADRB1FABP5KMT2A
SCHEMBL29633725 0.81 FABP5 (0.41) FABP5MEN1KMT2A
SCHEMBL29633945 0.81 FABP5 (0.35) ADRB3ADRB1FABP5MEN1KMT2A

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 ADRB3 1853/4885ADRB1 2567/4885FABP5 608/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ADRB3 1853/4885ADRB1 2567/4885FABP5 608/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ADRB3 1853/4885ADRB1 2567/4885FABP5 608/4885

“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.