SCHEMBL12029005

SCHEMBL12029005

COC(=O)C(Cc1ccc(/C=N/O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.52
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
NOS2 P35228 6/20 0.47
NOS3 P29474 4/20 0.47
NOS1 P29475 4/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
MIF P14174 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL17655696 0.91 KLK5 (0.52) KLK5CTSSCTSKNOS2NOS3
SCHEMBL12028615 0.89 KLK5 (0.51) KLK5CTSSCTSKNOS2NOS3
SCHEMBL12337989 0.89 KLK5 (0.55) KLK5CTSSCTSKNOS2NOS3
SCHEMBL12143340 0.88 KLK5 (0.50) KLK5CTSSCTSKNOS2NOS3
SCHEMBL30759357 0.86 KLK5 (0.55) KLK5CTSSCTSKNOS2NOS3
SCHEMBL12028561 0.86 KLK5 (0.55) KLK5CTSSCTSKNOS2NOS3
SCHEMBL14173022 0.86 KLK5 (0.48) KLK5CTSSCTSKNOS2NOS3
SCHEMBL12029016 0.86 MIF (0.50) KLK5CTSSCTSKNOS2NOS3
SCHEMBL12028776 0.86 KLK5 (0.48) KLK5CTSSCTSKNOS2NOS3
SCHEMBL4648164 0.86 ITGA4 (0.50) KLK5CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8846876-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Abrx, Inc. (US) 2014-09-30 US disclosed
US-8791231-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-07-29 US disclosed
US-8476411-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-07-02 US disclosed
US-8367612-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-02-05 US disclosed
US-8263740-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2012-09-11 US disclosed
US-8263740-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2012-09-11 US disclosed
EP-2399893-A2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Ambrx, Inc. (US) 2011-12-28 EP disclosed
US-20080182968-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-07-31 US disclosed
US-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-07-24 US disclosed
US-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-07-24 US disclosed
US-20080177027-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-07-24 US disclosed
US-20080177027-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-07-24 US disclosed
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-06-26 US disclosed
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-06-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS KLK5 3477/4885CTSS 3586/4885CTSK 2182/4885
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP KLK5 3550/4885CTSS 3645/4885CTSK 2731/4885
US-20080177027-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS KLK5 3477/4885CTSS 3586/4885CTSK 2182/4885
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses DAO, DNPEP, AADAT KLK5 4314/4885CTSS 4279/4885CTSK 3698/4885
US-20080182968-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS KLK5 3477/4885CTSS 3586/4885CTSK 2182/4885

“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.