SCHEMBL589164

SCHEMBL589164

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.74
RECQL P46063 1/20 0.74
PKM P14618 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 2/20 0.53
HTT P42858 2/20 0.51
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPRB P23467 2/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
ACP1 P24666 1/20 0.43
MMP8 P22894 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL12155009 0.89 ALDH1A1 (0.71) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL12155012 0.89 ALDH1A1 (0.71) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL11124323 0.88 ALDH1A1 (0.78) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL6782409 0.87 ALDH1A1 (0.76) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL9556731 0.87 ALDH1A1 (0.76) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL12155022 0.87 ALDH1A1 (0.67) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL12155029 0.87 ALDH1A1 (0.67) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL11321380 0.87 ALDH1A1 (0.67) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL8495876 0.86 ALDH1A1 (0.74) ALDH1A1RECQLPKMKDM4ETHRB
SCHEMBL27631086 0.86 ALDH1A1 (0.74) 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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665744-B1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIV ROCHESTER (US) 2015-04-08 EP disclosed
US-8986953-B2 Macrocyclic compounds with a hybrid peptidic/non-peptidic backbone and methods for their preparation UNIVERSITY OF ROCHESTER (US) 2015-03-24 US disclosed
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION NATIONAL SCIENCE FOUNDATION 2013-12-12 US disclosed
EP-2665744-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2013-11-27 EP disclosed
WO-2012100176-A2 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION UNIVERSITY OF ROCHESTER (US) 2012-07-26 WO disclosed
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-20050186656-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE (US) 2005-08-25 US disclosed
US-20050186657-A1 in vitro and in vivo; involves incorporating an unnatural amino acid into a protein and attaching one or more saccharide moieties to the unnatural amino acid; mimetics 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 (7 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 4882/4885PKM 3390/4885
US-20050186656-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP ALDH1A1 1524/4885RECQL 4882/4885PKM 3390/4885
US-20110077385-A1 Protein arrays MAX, MRPL21, STUB1 ALDH1A1 3707/4885RECQL 3962/4885PKM 2780/4885
US-20040138106-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP ALDH1A1 1524/4885RECQL 4882/4885PKM 3390/4885
US-20050186657-A1 in vitro and in vivo; involves incorporating an unnatural amino acid into a protein and attaching one or more saccharide moieties to the unnatural amino acid; mimetics DNPEP, ANPEP, NPEPPS ALDH1A1 2446/4885RECQL 4872/4885PKM 2746/4885
US-20130330773-A1 MACROCYCLIC COMPOUNDS WITH A HYBRID PEPTIDIC/NON-PEPTIDIC BACKBONE AND METHODS FOR THEIR PREPARATION MICA, VIP, NPEPPS ALDH1A1 4832/4885RECQL 1348/4885PKM 2548/4885
US-20040198637-A1 Polypeptide incorporating unnatural amino acid chemically bonded to solid support by a chemical linkage DNPEP, NPEPPS, ANPEP ALDH1A1 2931/4885RECQL 4423/4885PKM 2335/4885

“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.