SCHEMBL589165

SCHEMBL589165

CCC(C)OC(=O)C(Cc1ccc(C(C)=O)cc1)(NC(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MMP8 P22894 1/20 0.37
ACACB O00763 3/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ADAMTS4 O75173 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5365453 0.83 ALDH1A1 (0.42) ALDH1A1RECQLMMP8MAOB
SCHEMBL5359741 0.81 ALDH1A1 (0.43) ALDH1A1RECQLLMNAKMT2ASMN1; SMN2
SCHEMBL5361416 0.81 ALDH1A1 (0.43) ALDH1A1RECQLMMP8
SCHEMBL5366585 0.80 ALDH1A1 (0.42) ALDH1A1RECQLKMT2AMEN1HSD17B10
SCHEMBL6295222 0.80 ALDH1A1 (0.46) ALDH1A1RECQLSMN1; SMN2MMP8ADAMTS4
SCHEMBL5365525 0.79 ALDH1A1 (0.39) ALDH1A1RECQL
SCHEMBL5363745 0.79 ACACB (0.42) ALDH1A1RECQLLMNAKMT2ASMN1; SMN2
SCHEMBL6165524 0.78 NISCH (0.45) ALDH1A1RECQLLMNA
SCHEMBL7975808 0.78 ALDH1A1 (0.47) ALDH1A1RECQLLMNASMN1; SMN2MMP8
SCHEMBL5369783 0.78 ALDH1A1 (0.38) ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114629-B2 Site specific incorporation of keto amino acids into proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-14 US disclosed
US-20110318806-A1 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-29 US disclosed
US-8071344-B2 Biosynthesis; orthogonal tRNAs, orthogonal aminoacyl-tRNA synthetases THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-06 US disclosed
EP-2062976-B1 Site specific incorporation of keto amino acids into proteins SCRIPPS RESEARCH INST (US) 2011-09-28 EP disclosed
US-20110077385-A1 Protein arrays THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-31 US disclosed
US-7910345-B2 Site specific incorporation of keto amino acids into proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-22 US disclosed
US-7834159-B2 Pharmacokinetics; glycosyltransferases; vaccines THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-16 US disclosed
US-7825226-B2 Pharmacokinetics; glycosyltransferases THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-02 US disclosed
US-20100009425-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 US disclosed
US-7642085-B2 Polypeptide incorporating unnatural amino acid chemically bonded to solid support by a chemical linkage THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-05 US disclosed
US-20050209133-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2005-09-22 US disclosed
US-20050186656-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2005-08-25 US disclosed
US-20050181471-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2005-08-18 US disclosed
US-6927042-B2 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2005-08-09 US disclosed
EP-1558747-A2 GLYCOPROTEIN SYNTHESIS The Scripps Research Institute (US) 2005-08-03 EP disclosed
US-20040198637-A1 Polypeptide incorporating unnatural amino acid chemically bonded to solid support by a chemical linkage THE SCRIPPS RESEARCH INSTITUTE 2004-10-07 US disclosed
WO-2004058946-A2 PROTEIN ARRAYS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-15 WO disclosed
US-20040138106-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE 2004-07-15 US disclosed
WO-2004035743-A2 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-04-29 WO disclosed
WO-2004035605-A2 GLYCOPROTEIN SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-04-29 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 (6 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-20050181471-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP ALDH1A1 1524/4885RECQL 4882/4885LMNA 3304/4885
US-20050186656-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP ALDH1A1 1524/4885RECQL 4882/4885LMNA 3304/4885
US-20110077385-A1 Protein arrays MAX, MRPL21, STUB1 ALDH1A1 3707/4885RECQL 3962/4885LMNA 4345/4885
US-20040138106-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP ALDH1A1 1524/4885RECQL 4882/4885LMNA 3304/4885
US-20040198637-A1 Polypeptide incorporating unnatural amino acid chemically bonded to solid support by a chemical linkage DNPEP, NPEPPS, ANPEP ALDH1A1 2931/4885RECQL 4423/4885LMNA 4155/4885
US-20050209133-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP ALDH1A1 1524/4885RECQL 4882/4885LMNA 3304/4885

“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.