SCHEMBL13997782

SCHEMBL13997782

COC(OC)C(=O)c1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 6/20 0.56
▸ TPH1 P17752 4/20 0.55
▸ PTGS1 P23219 3/20 0.54
▸ ALPI P09923 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ XIAP P98170 1/20 0.54
▸ CYP3A4 P08684 3/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ HIF1A Q16665 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49

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
SCHEMBL13997784 0.82 SLC7A5 (0.65) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL1768596 0.81 SLC7A5 (0.68) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL1768600 0.81 SLC7A5 (0.68) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL12337990 0.81 SLC7A5 (0.59) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL6776885 0.81 SLC7A5 (0.68) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL13703211 0.81 SLC7A5 (0.51) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL93537 0.80 SLC7A5 (0.67) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL6777440 0.80 SLC7A5 (0.67) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL93538 0.80 SLC7A5 (0.67) SLC7A5TPH1PTGS1ALPIPKM
SCHEMBL2310526 0.79 SLC7A5 (0.83) SLC7A5TPH1PTGS1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 — — US disclosed
US-9586988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-03-07 — — US disclosed
US-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2008-12-25 — — US disclosed
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-08-14 — — US disclosed
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-08-07 — — US disclosed
US-20080118464-A1 For diagnosis, genetic engineering; post-translation modification AMBRX, INC. (US) 2008-05-22 — — 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 (4 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-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides PTMS, DNPEP, ANPEP SLC7A5 244/4885TPH1 2350/4885PTGS1 4559/4885
US-20080118464-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT SLC7A5 336/4885TPH1 1880/4885PTGS1 3797/4885
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT SLC7A5 336/4885TPH1 1880/4885PTGS1 3797/4885
US-20080194459-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, ANPEP, PTMS SLC7A5 193/4885TPH1 1725/4885PTGS1 4463/4885

“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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