SCHEMBL1104659

SCHEMBL1104659

N[C@@H](Cc1ccc(NCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.69
ALPI P09923 1/20 0.69
PKM P14618 1/20 0.69
PTGS1 P23219 1/20 0.69
XIAP P98170 1/20 0.69
FFAR1 O14842 5/20 0.60
FFAR4 Q5NUL3 2/20 0.60
TPH1 P17752 4/20 0.60
PPARG P37231 2/20 0.59
PPARA Q07869 2/20 0.59
SLC1A3 P43003 2/20 0.51
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL27754703 0.88 FFAR1 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27754706 0.88 FFAR1 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1104652 0.88 FFAR1 (0.62) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27323060 0.85 FFAR1 (0.55) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7385112 0.85 FFAR1 (0.66) FFAR1FFAR4PPARGPPARACA1
SCHEMBL1104647 0.85 SLC7A5 (0.65) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL3498503 0.84 CA1 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL3498506 0.84 CA1 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30990375 0.83 SLC7A5 (0.72) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL23159186 0.83 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP

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 10 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-8557781-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-10-15 US disclosed
US-8557781-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-10-15 US disclosed
US-8399614-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-03-19 US disclosed
US-8399614-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-03-19 US disclosed
US-8153758-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2012-04-10 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 244/4885ALPI 3972/4885PKM 1184/4885
US-20080118464-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT SLC7A5 336/4885ALPI 4695/4885PKM 921/4885
US-20080187491-A1 For diagnosis, genetic engineering; post-translation modification PTMS, ANPEP, AADAT SLC7A5 336/4885ALPI 4695/4885PKM 921/4885
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 193/4885ALPI 3828/4885PKM 907/4885

“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.