SCHEMBL29633899

SCHEMBL29633899

CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(Cc1cncc(Br)c1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
MDM2 Q00987 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP13 P45452 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
FABP5 Q01469 2/20 0.31
FABP7 O15540 1/20 0.31
MDM4 O15151 1/20 0.31
TP53 P04637 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CASP3 P42574 1/20 0.30

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
SCHEMBL29634027 0.91 HCRTR1 (0.34) EPHX2MDM2KMT2AMMP13AAK1
SCHEMBL29633808 0.90 PTGIR (0.33) EPHX2MDM2KMT2AFABP5FABP7
SCHEMBL25657533 0.90 PTGIR (0.33) EPHX2MDM2KMT2AFABP5FABP7
SCHEMBL29634049 0.89 ADORA2A (0.34) EPHX2MDM2KMT2AFABP5FABP7
SCHEMBL29633728 0.89 FABP5 (0.34) EPHX2MDM2KMT2AFABP5FABP7
SCHEMBL29633707 0.89 EPHX2 (0.32) EPHX2MDM2KMT2AFABP5FABP7
SCHEMBL29633930 0.89 FABP5 (0.35) EPHX2MDM2KMT2AFABP5FABP7
SCHEMBL29633992 0.89 PTGIR (0.35) EPHX2MDM2KMT2AFABP5MDM4
SCHEMBL25657532 0.89 PTGIR (0.35) EPHX2MDM2KMT2AFABP5MDM4
SCHEMBL22454847 0.88 KMT2A (0.34) EPHX2MDM2KMT2AFABP5FABP7

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 2165/4885MDM2 223/4885KMT2A 355/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR EPHX2 2165/4885MDM2 223/4885KMT2A 355/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR EPHX2 2165/4885MDM2 223/4885KMT2A 355/4885

“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.