SCHEMBL12155010

SCHEMBL12155010

CCOC(=O)C(Cc1ccc(C(=O)C(C)Br)cc1)(NC(C)=O)C(=O)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
RECQL P46063 1/20 0.64
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 2/20 0.46
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPRB P23467 2/20 0.42
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
ACP1 P24666 1/20 0.39
MMP8 P22894 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
TSHR P16473 2/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL12155024 0.89 ALDH1A1 (0.63) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL15081002 0.85 ALDH1A1 (0.45) ALDH1A1RECQLPKMKDM4EMAPT
SCHEMBL589164 0.84 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL12155009 0.82 ALDH1A1 (0.71) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL12155012 0.82 ALDH1A1 (0.71) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL9849155 0.82 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL11124323 0.82 ALDH1A1 (0.78) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL12142746 0.81 MMP8 (0.50) ALDH1A1RECQLTHRBMAPTMEN1
SCHEMBL6782409 0.80 ALDH1A1 (0.76) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL9556731 0.80 ALDH1A1 (0.76) ALDH1A1RECQLPKMKDM4ETHRB

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 22 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-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-8048988-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2011-11-01 US disclosed
US-8008456-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2011-08-30 US disclosed
US-7928163-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2011-04-19 US disclosed
US-20100120686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2010-05-13 US disclosed
US-20100098630-A1 Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides AMBRX, INC. (US) 2010-04-22 US disclosed
US-7696312-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2010-04-13 US disclosed
US-7638491-B2 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) 2009-12-29 US disclosed
US-20080268519-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-10-30 US disclosed
US-20080268518-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-10-30 US disclosed
US-20080213840-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-09-04 US 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-20080182969-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-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-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

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

For each of this compound's patents that has machine-readable text (10 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-20100120686-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP ALDH1A1 3172/4885RECQL 2816/4885PKM 532/4885
US-20080268518-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ALDH1A1 2247/4885RECQL 3841/4885PKM 357/4885
US-20080177038-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ALDH1A1 2247/4885RECQL 3841/4885PKM 357/4885
US-20080182969-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ALDH1A1 2247/4885RECQL 3841/4885PKM 357/4885
US-20080177027-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ALDH1A1 2247/4885RECQL 3841/4885PKM 357/4885
US-20080213840-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ALDH1A1 2247/4885RECQL 3841/4885PKM 357/4885
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 ALDH1A1 2140/4885RECQL 2549/4885PKM 543/4885
US-20100098630-A1 Phenazine and Quinoxaline Substituted Amino Acids and Polypeptides PTMS, NPEPPS, DNPEP ALDH1A1 4693/4885RECQL 2529/4885PKM 1131/4885
US-20080182968-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ALDH1A1 2247/4885RECQL 3841/4885PKM 357/4885
US-20080268519-A1 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses DNPEP, DAO, PTMS ALDH1A1 2247/4885RECQL 3841/4885PKM 357/4885

“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.