SCHEMBL1486191

SCHEMBL1486191

CC(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.54
KMT2A Q03164 2/20 0.51
MDM4 O15151 2/20 0.51
TP53 P04637 2/20 0.51
EPHX2 P34913 1/20 0.48
PIN1 Q13526 1/20 0.48
MDM2 Q00987 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
SCHEMBL7822425 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL31610887 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29908073 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29352152 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119400 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1486209 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29477078 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30147576 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL2551441 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL27843401 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160177292-A1 METHOD FOR SCREENING CATALYTIC PEPTIDES USING PHAGE DISPLAY TECHNOLOGY RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-06-23 US disclosed
US-20160177292-A1 METHOD FOR SCREENING CATALYTIC PEPTIDES USING PHAGE DISPLAY TECHNOLOGY RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-06-23 US disclosed
US-20160039872-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES 2016-02-11 US disclosed
US-9257576-B2 Amino acid generator and polysiloxane composition containing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
US-9174998-B2 (6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-({6-[3-(piperazin-1-yl)azetidin-1-yl]pyridin-2-yl}methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-11-03 US disclosed
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound PRISM PHARMA CO., LTD. (JP) 2015-06-25 US disclosed
US-8969289-B2 Serum albumin binding molecules BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-03 US disclosed
US-20130313669-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-28 US disclosed
US-20110073977-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-31 US disclosed
EP-1932853-A1 Novel depsipeptides and process for preparing same Cubist Pharmaceutical Inc. (US) 2008-06-18 EP disclosed
US-20080119395-A1 Novel Depsipeptides and Process for Preparing Same CUBIST PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080051326-A1 Antiinfective Lipopeptides CUBIST PHARMACEUTICALS, INC. 2008-02-28 US disclosed
EP-1814588-A2 ANTIINFECTIVE LIPOPEPTIDES Cubist Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
WO-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 WO disclosed
US-20060194714-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2006-08-31 US disclosed
EP-1423414-A4 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARM INC (US) 2005-11-30 EP disclosed
EP-1423414-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME Cubist Pharmaceuticals, Inc. (US) 2004-06-02 EP disclosed
US-20030083240-A1 Novel depsipeptides and process for preparing same CUBIST PHARMACEUTICALS, INC. 2003-05-01 US disclosed
WO-2003014147-A1 NOVEL DEPSIPEPTIDES AND PROCESS FOR PREPARING SAME CUBIST PHARMACEUTICALS, INC. (US) 2003-02-20 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-20030083240-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP CASP3 3328/4885KMT2A 4116/4885MDM4 1268/4885
US-20160039872-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PHKG1, ACP1 CASP3 3193/4885KMT2A 2868/4885MDM4 384/4885
US-20110073977-A1 AMINO ACID GENERATOR AND POLYSILOXANE COMPOSITION CONTAINING THE SAME DAO, BCAT1, BCAT2 CASP3 3774/4885KMT2A 266/4885MDM4 1211/4885
US-20080051326-A1 Antiinfective Lipopeptides VIP, NGLY1, PREP CASP3 1022/4885KMT2A 4448/4885MDM4 1783/4885
US-20060194714-A1 Novel depsipeptides and process for preparing same VIP, DNPEP, PREP CASP3 3328/4885KMT2A 4116/4885MDM4 1268/4885
US-20080119395-A1 Novel Depsipeptides and Process for Preparing Same VIP, DNPEP, PREP CASP3 3328/4885KMT2A 4116/4885MDM4 1268/4885
US-20150175615-A1 (6S,9aS)-N-Benzyl-6-[(4-hydroxyphenyl)methyl]-4,7-dioxo-8-(methyl)-2-(prop-2-en-1-yl)-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide compound WNT1, WNT3A, WNT3 CASP3 1013/4885KMT2A 1166/4885MDM4 4278/4885

“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.