SCHEMBL29633896

SCHEMBL29633896

CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(CCc1cncc(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
ADORA2B P29275 3/20 0.36
EPHX2 P34913 1/20 0.33
MDM2 Q00987 2/20 0.33
CD274 Q9NZQ7 2/20 0.32
PTGIR P43119 1/20 0.32
MDM4 O15151 2/20 0.32
TP53 P04637 2/20 0.32
KMT2A Q03164 1/20 0.31
MMP13 P45452 1/20 0.31
IDO1 P14902 1/20 0.31
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL29634049 0.91 ADORA2A (0.34) ADORA2AADORA2BEPHX2MDM2CD274
SCHEMBL29633742 0.90 EPHX2 (0.34) EPHX2MDM2PTGIRMDM4TP53
SCHEMBL29634030 0.90 EPHX2 (0.33) EPHX2MDM2MDM4TP53KMT2A
SCHEMBL29634027 0.90 HCRTR1 (0.34) EPHX2MDM2MDM4TP53KMT2A
SCHEMBL29633690 0.90 EPHX2 (0.33) EPHX2MDM2CD274MDM4TP53
SCHEMBL29633729 0.89 MDM4 (0.36) EPHX2MDM2PTGIRMDM4TP53
SCHEMBL29633770 0.89 PTGIR (0.34) EPHX2MDM2PTGIRMDM4TP53
SCHEMBL29633993 0.89 EPHX2 (0.37) EPHX2MDM2MDM4TP53KMT2A
SCHEMBL29633750 0.88 MDM2 (0.34) EPHX2MDM2MDM4TP53KMT2A
SCHEMBL29633952 0.87 KMT2A (0.35) EPHX2MDM2KMT2AFABP7FABP5

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 ADORA2A 2960/4885ADORA2B 3072/4885EPHX2 2165/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ADORA2A 2960/4885ADORA2B 3072/4885EPHX2 2165/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ADORA2A 2960/4885ADORA2B 3072/4885EPHX2 2165/4885

“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.