SCHEMBL29633997

SCHEMBL29633997

CN(C(=O)OC(C)(C)C)C(Cc1ccc(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
ADORA1 P30542 1/20 0.38
PTPN1 P18031 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
DAO P14920 1/20 0.34
KCNH2 Q12809 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MMP13 P45452 1/20 0.33
RXRA P19793 1/20 0.33
RAPGEF3 O95398 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL28741591 0.91 ITGB1 (0.38) ADORA1PTPN1AAK1DAOKCNH2
SCHEMBL29633714 0.90 DAO (0.38) ADORA1AAK1DAOKCNH2ITGB1
SCHEMBL29633733 0.89 ABCB1 (0.41) PTPN1MRGPRX4PPARGPPARANR1H2
SCHEMBL29633668 0.84 FABP7 (0.35) PTPN1KCNH2ITGB1ITGA4PPARG
SCHEMBL22444666 0.83 DAO (0.38) AAK1DAOKCNH2ITGB1ITGA4
SCHEMBL29633823 0.81 ABCB1 (0.38) DAOMRGPRX4PPARGPPARA
SCHEMBL31407812 0.78 MAOB (0.41) ADORA1ITGB1ITGA4PPARGPPARA
SCHEMBL1360611 0.78 MAOB (0.41) ADORA1ITGB1ITGA4PPARGPPARA
SCHEMBL1360608 0.78 MAOB (0.41) ADORA1ITGB1ITGA4PPARGPPARA
SCHEMBL29633702 0.77 FABP7 (0.34) DAOITGB1ITGA4

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 ADORA1 2955/4885PTPN1 4351/4885AAK1 1233/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ADORA1 2955/4885PTPN1 4351/4885AAK1 1233/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ADORA1 2955/4885PTPN1 4351/4885AAK1 1233/4885

“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.