SCHEMBL29633962

SCHEMBL29633962

CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(Cc1ccc(C(F)(F)F)c(F)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PPARA Q07869 4/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 3/20 0.37
MDM2 Q00987 2/20 0.34
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34
FABP5 Q01469 2/20 0.34
FABP7 O15540 1/20 0.34
FFAR1 O14842 1/20 0.34
PTPN1 P18031 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL29633877 0.91 EPHX2 (0.34) PPARAPPARGPPARDMDM2MDM4
SCHEMBL29633681 0.90 PPARG (0.33) PPARAPPARGPPARDFABP5FABP7
SCHEMBL24199709 0.90 PTPN1 (0.33) PPARAPPARGPPARDFABP5FABP7
SCHEMBL29633950 0.90 PPARG (0.33) PPARAPPARGPPARDFABP5FABP7
SCHEMBL22454862 0.90 PPARG (0.33) PPARAPPARGPPARDFABP5FABP7
SCHEMBL29633837 0.90 FABP5 (0.38) ITGB3ITGA2BPPARAPPARGMDM2
SCHEMBL30055883 0.89 CYP2D6 (0.38) ITGB3ITGA2BPPARAPPARGMDM2
SCHEMBL25657523 0.89 CYP2D6 (0.38) ITGB3ITGA2BPPARAPPARGMDM2
SCHEMBL24633858 0.89 CYP2D6 (0.38) ITGB3ITGA2BPPARAPPARGMDM2
SCHEMBL29633810 0.89 ITGB3 (0.37) ITGB3ITGA2BPPARAPPARGMDM2

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 ITGB3 4722/4885ITGA2B 4737/4885PPARA 658/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR ITGB3 4722/4885ITGA2B 4737/4885PPARA 658/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR ITGB3 4722/4885ITGA2B 4737/4885PPARA 658/4885

“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.