SCHEMBL29633823

SCHEMBL29633823

CN(C(=O)OCc1ccccc1)C(CCc1ccc(C(F)(F)F)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MMP7 P09237 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
DAO P14920 1/20 0.34
SYK P43405 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL29633733 0.91 ABCB1 (0.41) ABCB1ITGB3ITGA2BCTSLCTSB
SCHEMBL29633714 0.90 DAO (0.38) DAOMRGPRX4
SCHEMBL29633702 0.84 FABP7 (0.34) DAO
SCHEMBL22444666 0.84 DAO (0.38) MMP7PPARGPPARADAOMRGPRX4
SCHEMBL29633694 0.82 PTPN1 (0.36) ABCB1ITGB3ITGA2BCTSLCTSB
SCHEMBL29633997 0.81 ADORA1 (0.38) PPARGPPARADAOMRGPRX4
SCHEMBL28741519 0.80 SYK (0.45) CTSLCTSBCTSSCTSKMMP7
SCHEMBL22454845 0.79 CTSS (0.48) CTSSCTSKMMP7PPARGPPARA
SCHEMBL28741555 0.79 CTSS (0.48) CTSSCTSKMMP7PPARGPPARA
SCHEMBL29633919 0.79 CTSS (0.48) CTSSCTSKMMP7PPARGPPARA

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 ABCB1 3881/4885ITGB3 4722/4885ITGA2B 4737/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ABCB1 3881/4885ITGB3 4722/4885ITGA2B 4737/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ABCB1 3881/4885ITGB3 4722/4885ITGA2B 4737/4885

“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.