SCHEMBL29633714

SCHEMBL29633714

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
ADORA1 P30542 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
KCNH2 Q12809 3/20 0.34
TMEM97 Q5BJF2 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
OPRK1 P41145 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
MMP13 P45452 1/20 0.32
RXRA P19793 1/20 0.32
RAPGEF3 O95398 1/20 0.32
HTT P42858 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
MGLL Q99685 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
SCHEMBL22444666 0.91 DAO (0.38) DAOAAK1KCNH2TMEM97MRGPRX4
SCHEMBL29633823 0.90 ABCB1 (0.38) DAOMRGPRX4
SCHEMBL29633997 0.90 ADORA1 (0.38) DAOADORA1AAK1KCNH2MRGPRX4
SCHEMBL29633702 0.86 FABP7 (0.34) DAOITGB1ITGA4
SCHEMBL28741591 0.83 ITGB1 (0.38) DAOADORA1AAK1KCNH2MRGPRX4
SCHEMBL29633733 0.80 ABCB1 (0.41) MRGPRX4NR1H2NR1H3
SCHEMBL28741584 0.78 CTSS (0.44) DAOCACNA1B
SCHEMBL22444672 0.74 PPARA (0.50)
SCHEMBL8362302 0.71 CTSB (0.42) AAK1MMP13
SCHEMBL7474508 0.71 CTSB (0.42) AAK1MMP13

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 DAO 7/4885ADORA1 2955/4885AAK1 1233/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR DAO 7/4885ADORA1 2955/4885AAK1 1233/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR DAO 7/4885ADORA1 2955/4885AAK1 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.