SCHEMBL29633843

SCHEMBL29633843

COc1cccc(CC(C(=O)OC(C)(C)C)N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
FABP5 Q01469 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
EPHX2 P34913 1/20 0.35
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL22454864 0.91 EPHX2 (0.36) CACNA1BFABP5EPHX2
SCHEMBL29633827 0.91 EPHX2 (0.36) CACNA1BFABP5EPHX2
SCHEMBL29633796 0.91 EPHX2 (0.36) CACNA1BFABP5EPHX2
SCHEMBL29633748 0.90 FABP5 (0.37) FABP5
SCHEMBL30767796 0.89 FABP5 (0.40) FABP5TAAR1EPHX2RAB9A
SCHEMBL29633961 0.89 FABP5 (0.40) FABP5TAAR1EPHX2RAB9A
SCHEMBL30510338 0.89 FABP5 (0.40) FABP5TAAR1EPHX2RAB9A
SCHEMBL29633992 0.88 PTGIR (0.35) FABP5EPHX2KMT2A
SCHEMBL25657532 0.88 PTGIR (0.35) FABP5EPHX2KMT2A
SCHEMBL29633698 0.88 FABP5 (0.39) FABP5KMT2A

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 CACNA1B 3612/4885MMP1 4596/4885MMP2 3865/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CACNA1B 3612/4885MMP1 4596/4885MMP2 3865/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CACNA1B 3612/4885MMP1 4596/4885MMP2 3865/4885

“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.