SCHEMBL29633733

SCHEMBL29633733

CN(C(=O)OCc1ccccc1)C(Cc1ccc(C(F)(F)F)c(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PTPN1 P18031 1/20 0.37
XIAP P98170 2/20 0.36
P2RX7 Q99572 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SYK P43405 1/20 0.35
BIRC2 Q13490 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL29633823 0.91 ABCB1 (0.38) ABCB1ITGB3ITGA2BPPARGPPARA
SCHEMBL29633997 0.89 ADORA1 (0.38) PPARGPPARAPTPN1MRGPRX4NR1H2
SCHEMBL29633668 0.84 FABP7 (0.35) PPARGPPARAPTPN1XIAPBIRC2
SCHEMBL28741591 0.83 ITGB1 (0.38) PPARGPPARAPTPN1MRGPRX4NR1H2
SCHEMBL29633994 0.81 ITGB3 (0.37) ABCB1ITGB3ITGA2BPPARGPPARA
SCHEMBL29633714 0.80 DAO (0.38) MRGPRX4NR1H2NR1H3
SCHEMBL28741603 0.80 ALDH1A1 (0.49) ITGB3ITGA2BPPARAP2RX7SYK
SCHEMBL28741517 0.78 CTSL (0.48) PPARGPPARAPTPN1LMNAALDH1A1
SCHEMBL22444666 0.76 DAO (0.38) PPARGPPARAMRGPRX4NR1H2NR1H3
SCHEMBL29633837 0.75 FABP5 (0.38) ITGB3ITGA2BPPARGPPARAPTPN1

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.