SCHEMBL29633694

SCHEMBL29633694

CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(CCc1ccc(C(F)(F)F)c(Cl)c1)C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
EPHX2 P34913 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ABCB1 P08183 1/20 0.33
DAO P14920 1/20 0.32
MMP7 P09237 1/20 0.32
ELANE P08246 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL29633994 0.92 ITGB3 (0.37) PTPN1FABP7FABP5EPHX2ITGB3
SCHEMBL29633850 0.92 FABP5 (0.37) PTPN1FABP7FABP5EPHX2DAO
SCHEMBL29633702 0.89 FABP7 (0.34) FABP7FABP5EPHX2DAOHCRTR1
SCHEMBL29633837 0.85 FABP5 (0.38) PTPN1FABP7FABP5EPHX2ITGB3
SCHEMBL29633877 0.82 EPHX2 (0.34) PTPN1FABP7FABP5EPHX2DAO
SCHEMBL29633823 0.82 ABCB1 (0.38) ITGB3ITGA2BPTGDR2CTSLCTSB
SCHEMBL29634045 0.82 HDAC1 (0.46) PTPN1EPHX2HDAC1HDAC2
SCHEMBL22444686 0.82 HDAC1 (0.46) PTPN1EPHX2HDAC1HDAC2
SCHEMBL29633668 0.81 FABP7 (0.35) PTPN1FABP7FABP5EPHX2
SCHEMBL29633839 0.80 EPHX2 (0.33) PTPN1FABP7FABP5EPHX2DAO

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 PTPN1 4351/4885FABP7 1148/4885FABP5 608/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR PTPN1 4351/4885FABP7 1148/4885FABP5 608/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR PTPN1 4351/4885FABP7 1148/4885FABP5 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.