SCHEMBL12611746

SCHEMBL12611746

NNCc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.65
▸ PTGS1 P23219 3/20 0.63
▸ ALPI P09923 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ XIAP P98170 1/20 0.63
▸ HIF1A Q16665 4/20 0.54
▸ ALOX15 P16050 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ TPH1 P17752 2/20 0.54
▸ GRB2 P62993 1/20 0.54

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
SCHEMBL8237191 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2310526 0.86 SLC7A5 (0.83) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL16577961 0.84 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12611747 0.84 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL8237040 0.82 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5608012 0.82 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5608007 0.82 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12831404 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12611650 0.81 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2265485 0.81 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP

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-9488660-B2 Methods and compositions comprising non-natural amino acids AMBRX, INC. (US) 2016-11-08 — — US disclosed
EP-2339014-A1 Methods and compositions comprising non-natural amino acids AMBRX, INC. (US) 2011-06-29 — — EP disclosed
US-20090018029-A1 Methods and Compositions Comprising Non-Natural Amino Acids AMBRX, INC. (US) 2009-01-15 — — 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 (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-20090018029-A1 Methods and Compositions Comprising Non-Natural Amino Acids PTMS, NPPA, DNPEP SLC7A5 518/4885PTGS1 1383/4885ALPI 4314/4885

“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.

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