SCHEMBL2059341

SCHEMBL2059341

COC(=O)[C@@H](NCCNC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.49
ELANE P08246 1/20 0.48
PRTN3 P24158 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A1 P43005 1/20 0.48
TGM2 P21980 1/20 0.48
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
KYNU Q16719 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
SCHEMBL2059433 0.92 HTT (0.58) LMNASMN1; SMN2HTTTRPM8L3MBTL1
SCHEMBL22122414 0.91 LMNA (0.57) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL22122416 0.91 LMNA (0.57) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28650274 0.88 LMNA (0.51) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL12347932 0.88 LMNA (0.51) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL28221516 0.86 LMNA (0.58) LMNASMN1; SMN2HTTTRPM8L3MBTL1
SCHEMBL28221007 0.86 LMNA (0.58) LMNASMN1; SMN2HTTTRPM8L3MBTL1
SCHEMBL28221005 0.86 LMNA (0.58) LMNASMN1; SMN2HTTTRPM8L3MBTL1
SCHEMBL19750475 0.85 LMNA (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7206127 0.83 HTT (0.59) LMNASMN1; SMN2HTTL3MBTL1MAPT

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 16 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
EP-0882024-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-12-09 EP disclosed
EP-0876353-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS Abbott Laboratories (US) 1998-11-11 EP disclosed
WO-1997021683-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 WO disclosed
WO-1997021685-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 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 (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 LMNA 3494/4885SMN1; SMN2 2544/4885HTT 3582/4885
US-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 LMNA 3656/4885SMN1; SMN2 2634/4885HTT 3490/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 LMNA 3656/4885SMN1; SMN2 2634/4885HTT 3490/4885

“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.