SCHEMBL831614

SCHEMBL831614

O=C(O)CN(CCO)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.45
EPHX2 P34913 1/20 0.41
CASP3 P42574 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL31170925 1.00 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL20371103 0.90 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL1869833 0.90 FABP5 (0.50) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL38654751 0.88 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL29540117 0.88 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL4379819 0.88 KMT2A (0.48) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL27028791 0.88 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL15083344 0.88 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL30510293 0.88 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL21952273 0.87 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46129-E1 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-08-30 US disclosed
EP-1723122-B1 Dimeric small molecule potentiators of apoptosis UNIV TEXAS (US) 2014-11-19 EP disclosed
US-8143418-B2 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-03-27 US disclosed
US-20110124585-A1 Dimeric Small Molecule Potentiators of Apoptosis BOARD OF REGENTS 2011-05-26 US disclosed
US-7884211-B2 2-Methylamino-N-{2-(6-{1-methyl-2-(2-methylamino-propionylamino)-3-oxo-3-[2-(5-phenoxy-tetrazol-1-ylmethyl)-pyrrolidine-1-yl]-propoxy}-hexa-2,4-diynyloxy)-1-[2-(5-phenoxy-tetrazol-1-ylmethyl)-pyrrolidine-1-carbonyl]-propyl}-propionamide; mimetics of second mitochondria-derived activator of caspases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-02-08 US disclosed
US-7816538-B2 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-19 US disclosed
US-7638544-B2 Dimeric small molecule potentiators of apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-12-29 US disclosed
US-20090312379-A1 Dimeric Small Molecule Potentiators of Apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 US disclosed
US-20090281155-A1 Dimeric Small Molecule Potentiators of Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-11-12 US disclosed
US-20080119532-A1 Dimeric Small Molecule Potentiators of Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2008-05-22 US disclosed
EP-0535155-B1 LIBRARIES OF MODIFIED PEPTIDES WITH PROTEASE RESISTANCE CHIRON CORP (US) 2002-01-30 EP disclosed
US-6075121-A HETEROPOLYMERIC PEPTOID COMPOUND CONSISTING OF 2 TO 50 N-SUBSTITUTED GLYCINES HAVING DIFFERENT ALPHA-AMINO R GROUPS; CAPABLE OF NON-NATURAL CONFIGURATIONS FOR DRUG DESIGN CHIRON CORPORATION (US) 2000-06-13 US disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
US-5965695-A PEPTOIDS COMPRISED OF 2-50 MONOMER UNITS INCLUDING AT LEAST 2 N-SUBSTITUTED GLYCINE RESIDUES; THE PEPTOIDS ARE CONJUGATED TO A DRUG SUCH AS AZT OR TRIMETHOPRIM, FOR INCREASED BINDING AFFINITY TO A PARTICULAR BIOLOGICAL RECEPTOR CHIRON CORPORATION (US) 1999-10-12 US disclosed
US-5811387-A ENZYME RESISTANT OLIGO- OR POLY-PEPTOID WHICH MAY SELECTIVELY BIND TO POLYPEPTIDE OR EFFECTOR MOLECULE; MIMETICS, PEPTOID LIBRARIES CHIRON CORPORATION (US) 1998-09-22 US disclosed
EP-0655078-B1 ORGANOPOLYSILOXANE COMPOSITIONS CROSS-LINKABLE INTO ELECTROCONDUCTIVE ELASTOMERS WACKER CHEMIE GMBH (DE) 1996-06-05 EP disclosed
EP-0672661-A1 Substituted N-ethyl-glycinderivatives for the preparation of PNA and PNA-/DNA hybrides HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0535155-A4 LIBRARIES OF MODIFIED PEPTIDES WITH PROTEASE RESISTANCE BARTLETT PAUL A (US) 1994-08-17 EP disclosed
EP-0535155-A1 LIBRARIES OF MODIFIED PEPTIDES WITH PROTEASE RESISTANCE BARTLETT, Paul A. (US) 1993-04-07 EP disclosed
WO-1991019735-A1 LIBRARIES OF MODIFIED PEPTIDES WITH PROTEASE RESISTANCE BARTLETT PAUL A (US) 1991-12-26 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 (4 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-20090312379-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 KMT2A 3677/4885FABP5 4217/4885FABP7 3983/4885
US-20090281155-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 KMT2A 3677/4885FABP5 4217/4885FABP7 3983/4885
US-20110124585-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 KMT2A 3677/4885FABP5 4217/4885FABP7 3983/4885
US-20080119532-A1 Dimeric Small Molecule Potentiators of Apoptosis BAD, BAX, CASP2 KMT2A 3919/4885FABP5 4110/4885FABP7 3878/4885

“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.