SCHEMBL29633796

SCHEMBL29633796

COc1cccc(CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
IDO1 P14902 1/20 0.36
CACNA1B Q00975 1/20 0.35
CYP2D6 P10635 2/20 0.35
HTR2A P28223 2/20 0.35
AOC3 Q16853 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ABCB1 P08183 1/20 0.35
FABP5 Q01469 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
SCHEMBL22454864 1.00 EPHX2 (0.36) EPHX2IDO1CACNA1BCYP2D6HTR2A
SCHEMBL29633827 1.00 EPHX2 (0.36) EPHX2IDO1CACNA1BCYP2D6HTR2A
SCHEMBL29633843 0.91 CACNA1B (0.36) EPHX2CACNA1BFABP5
SCHEMBL29633784 0.90 MDM2 (0.37) EPHX2FABP5
SCHEMBL31369777 0.89 FABP5 (0.39) EPHX2IDO1CYP2D6HTR2AAOC3
SCHEMBL29634040 0.89 FABP5 (0.39) EPHX2IDO1CYP2D6HTR2AAOC3
SCHEMBL29633770 0.89 PTGIR (0.34) EPHX2IDO1FABP5
SCHEMBL29633761 0.89 FABP5 (0.38) EPHX2FABP5
SCHEMBL29633852 0.88 FABP5 (0.39) NR1H2NR1H3FABP5
SCHEMBL29633793 0.88 EPHX2 (0.37) EPHX2IDO1AOC3FABP5

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 EPHX2 2165/4885IDO1 122/4885CACNA1B 3612/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR EPHX2 2165/4885IDO1 122/4885CACNA1B 3612/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR EPHX2 2165/4885IDO1 122/4885CACNA1B 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.