SCHEMBL5124875

SCHEMBL5124875

N[C@@H](Cc1cc(I)c(OCc2ccc(Oc3ccc(O)cc3)cc2)c(I)c1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCNA P12004 4/20 0.81
THRB P10828 8/20 0.63
THRA P10827 5/20 0.63
LMNA P02545 4/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
PPARG P37231 2/20 0.63
CYP2D6 P10635 1/20 0.63
TSHR P16473 1/20 0.63
GABRP O00591 1/20 0.63
GABRD O14764 1/20 0.63
ABCB11 O95342 1/20 0.63
F2 P00734 1/20 0.63
GABRA1 P14867 1/20 0.63
GABRB1 P18505 1/20 0.63
GABRG2 P18507 1/20 0.63
GABRB3 P28472 1/20 0.63
ADORA1 P30542 1/20 0.63
GABRA5 P31644 1/20 0.63
GABRA3 P34903 1/20 0.63

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
SCHEMBL428139 0.90 PCNA (1.00) PCNATHRBTHRALMNAMEN1
SCHEMBL1487713 0.90 PCNA (1.00) PCNATHRBTHRALMNAMEN1
SCHEMBL445767 0.90 PCNA (1.00) PCNATHRBTHRALMNAMEN1
Water SCHEMBL28780879 0.89 PCNA (0.97) PCNATHRBTHRALMNAMEN1
Water SCHEMBL28780882 0.89 PCNA (0.97) PCNATHRBTHRALMNAMEN1
SCHEMBL4439595 0.89 PCNA (0.97) PCNATHRBTHRALMNAMEN1
SCHEMBL11198581 0.85 PCNA (0.86) PCNATHRBTHRALMNAMEN1
SCHEMBL19048382 0.84 PCNA (0.84) PCNATHRBTHRALMNAMEN1
SCHEMBL285216 0.83 SLC7A5 (0.80) PCNATHRBTHRALMNAMEN1
SCHEMBL30622075 0.83 SLC7A5 (0.80) PCNATHRBTHRALMNAMEN1

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 PCNA 198/4885THRB 816/4885THRA 922/4885

“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.