SCHEMBL1366150

SCHEMBL1366150

CC(=O)CS(=O)(=O)c1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
MMP13 P45452 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
ABCB1 P08183 1/20 0.48
BCL2 P10415 1/20 0.48
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
CA2 P00918 1/20 0.47
PTPN1 P18031 2/20 0.47
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 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
SCHEMBL30898782 0.89 ACE (0.58) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL12143668 0.89 ACE (0.53) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL9955453 0.85 ACE (0.59) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL2073756 0.83 ACE (0.63) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL2073752 0.83 ACE (0.63) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL24513846 0.81 ITGB3 (0.59) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL29145387 0.81 ITGB3 (0.59) ACEITGB3ITGA2BCTSSCTSK
SCHEMBL22479266 0.81 ACE (0.54) ACEITGB3ITGA2BCTSSCTSK
Afalanine SCHEMBL9871395 0.80 ACE (0.72) ACEITGB3ITGA2BCTSSCTSK
Afalanine SCHEMBL9871393 0.80 ACE (0.72) ACEITGB3ITGA2BCTSSCTSK

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047086-B Compositions containing unnatural amino acids and polypeptides, methods involving unnatural amino acids and polypeptides, and uses thereof AMBRX公司 2023-06-16 CN disclosed
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
EP-1828224-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2016-04-06 EP disclosed
EP-1828224-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2016-04-06 EP disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 US disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 US disclosed
US-8859802-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-14 US disclosed
US-8859802-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-14 US disclosed
US-8846876-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Abrx, Inc. (US) 2014-09-30 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
EP-1828224-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES Ambrx, Inc. (US) 2007-09-05 EP disclosed
US-20060217532-A1 Incorporating a non-natural amino acid having oxime, carbonyl, dicarbonyl, and/or hydroxylamine group into a terminal or internal position within a polypeptide AMBRX, INC. (US) 2006-09-28 US disclosed
US-20060217289-A1 Administering a polypeptide having an oxime-containing non-natural amino acid, from a translation system of: a polynucleotide comprising a selector codon encoding the polypeptide, a tRNA comprising the oxime-containing amino acid AMBRX, INC. (US) 2006-09-28 US disclosed
US-20060194256-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2006-08-31 US disclosed
WO-2006069246-A9 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2006-08-31 WO disclosed
WO-2006069246-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2006-06-29 WO 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-20060194256-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ACE 1595/4885ITGB3 1236/4885ITGA2B 1192/4885
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP ACE 1994/4885ITGB3 1225/4885ITGA2B 1525/4885
US-20060217289-A1 Administering a polypeptide having an oxime-containing non-natural amino acid, from a translation system of: a polynucleotide comprising a selector codon encoding the polypeptide, a tRNA comprising the oxime-containing amino acid DAO, OSGEP, OTC ACE 2741/4885ITGB3 1861/4885ITGA2B 1954/4885
US-20060217532-A1 Incorporating a non-natural amino acid having oxime, carbonyl, dicarbonyl, and/or hydroxylamine group into a terminal or internal position within a polypeptide DAO, DNPEP, PTMS ACE 2266/4885ITGB3 1173/4885ITGA2B 1692/4885

“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.