SCHEMBL1104647

SCHEMBL1104647

N[C@@H](Cc1ccc(NCCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.65
ALPI P09923 1/20 0.65
PKM P14618 1/20 0.65
PTGS1 P23219 1/20 0.65
XIAP P98170 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.53
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
PTPN1 P18031 1/20 0.49
GRB2 P62993 1/20 0.49
TPH1 P17752 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTPRC P08575 1/20 0.47
RORC P51449 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
SCHEMBL1104659 0.85 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27864057 0.84 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14967446 0.84 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12674441 0.83 SLC7A5 (0.57) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5025015 0.83 SLC7A5 (0.57) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1070680 0.83 SLC7A5 (0.57) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL9396067 0.82 SLC7A5 (0.88) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL2319690 0.82 SLC7A5 (0.88) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2729020 0.82 HIF1A (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5025091 0.82 SLC7A5 (0.56) 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.