SCHEMBL5113855

SCHEMBL5113855

N[C@@H](Cc1cccc(OCCc2ccc3ccccc3c2)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
SLC7A11 Q9UPY5 1/20 0.49
SLC7A5 Q01650 5/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
FFAR1 O14842 1/20 0.48
TPH1 P17752 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL5116303 0.88 PTPN1 (0.63) PTPN1SLC7A5ALPIPKMPTGS1
Phenylalanine SCHEMBL27785427 0.83 SLC7A5 (0.71) PTPN1PPARGPPARASLC7A11SLC7A5
SCHEMBL29401985 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM
SCHEMBL29375097 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM
SCHEMBL210104 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM
SCHEMBL93304 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM
SCHEMBL837890 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM
SCHEMBL93303 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM
SCHEMBL29584308 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM
SCHEMBL29554654 0.83 SLC7A5 (0.65) PTPN1SLC7A11SLC7A5ALPIPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP 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 (1 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-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 PTPN1 1039/4885PPARG 543/4885PPARD 1868/4885

“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.