SCHEMBL2059331

SCHEMBL2059331

Cc1ncnc(C)c1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
CD69 Q07108 4/20 0.44
ELANE P08246 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR4A1 P22736 1/20 0.40
APEX1 P27695 1/20 0.40
MCL1 Q07820 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
PTPRB P23467 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2058988 0.77 KMT2A (0.44) KMT2AKDM4EPKMHTTCD69
SCHEMBL5717583 0.76 KMT2A (0.43) KMT2AKDM4EPKMHTTCD69
SCHEMBL13603834 0.73 KMT2A (0.44) KMT2AKDM4EPKMHTTCD69
SCHEMBL5717644 0.73 ALOX15 (0.41) KMT2AKDM4EPKMHTTCD69
SCHEMBL2059355 0.71 CSNK2A2 (0.49) KMT2AKDM4ECD69ELANEMCL1
SCHEMBL830740 0.71 KMT2A (0.60) KMT2AKDM4ECD69ALOX15SMN1; SMN2
SCHEMBL27638775 0.70 GABRR1 (0.42) KMT2AKDM4ESMN1; SMN2POLBHSD17B10
SCHEMBL27638774 0.70 KDM4E (0.40) KDM4EHTTPOLBL3MBTL1HPGD
SCHEMBL6744370 0.69 SMN1; SMN2 (0.51) KMT2AHTTCD69ALOX15SMN1; SMN2
SCHEMBL2058911 0.69 THRA (0.47) KMT2AKDM4EPKMHTTCD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968707-B2 Reacting an amino, hydroxy substituted amide with a heterocyclic substituted carboxylic acid to produce (2S,3S,5S)-2-(2,6-Dimethylphenoxyacetyl) amino-3-hydroxy-5-[2S-1-imidazolidin-2-onyl)-3-methyl-butanoyl] amino-1,6-diphenylhexane; inhibitors of HIV infection ABBOTT LABORATORIES (US) 2011-06-28 US disclosed
US-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBVIE INC. 2008-06-12 US disclosed
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 US disclosed
EP-1295874-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2003-03-26 EP disclosed
US-6472529-B2 VIRICIDES ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 EP disclosed
US-20020004503-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2002-01-10 US disclosed
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 EP disclosed
US-6313296-B1 2-PYRROLIDINONE-1-ACETIC ACID DERIVATIVES; VIRICIDES FOR HUMAN IMMUNODEFICIENCY VIRUS (HIV); ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT ABBOTT LABORATORIES 2001-11-06 US disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed
US-5905068-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-05-18 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 (3 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-20080139811-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS SERPINB1, PREP, DNPEP KMT2A 2968/4885KDM4E 2242/4885PKM 3861/4885
US-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 KMT2A 3171/4885KDM4E 2384/4885PKM 4119/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 KMT2A 3171/4885KDM4E 2384/4885PKM 4119/4885

“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.