SCHEMBL2059554

SCHEMBL2059554

Cc1cc(O)cc(C)c1OCC(=O)[C@@H](C(N)c1ccccc1)[C@@H](O)C[C@H](C(=O)OC(C)(C)C)C(N)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.35
OPRD1 P41143 9/20 0.35
LTA4H P09960 1/20 0.34
SCN4A P35499 2/20 0.33
KYNU Q16719 1/20 0.32
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MAPK1 P28482 2/20 0.32
RECQL P46063 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2059579 0.77 L3MBTL1 (0.33) OPRM1OPRD1LTA4HSCN4AL3MBTL1
SCHEMBL2059387 0.76 KLK5 (0.39) OPRM1SCN4AKMT2A
SCHEMBL2059385 0.76 KLK5 (0.39) OPRM1SCN4AKMT2A
SCHEMBL2059413 0.75 SCN4A (0.46) OPRM1SCN4AMEN1KMT2AALDH1A1
SCHEMBL2059530 0.75 ATM (0.46) OPRM1SCN4AKMT2A
SCHEMBL2059527 0.75 ATM (0.46) OPRM1SCN4AKMT2A
SCHEMBL2059553 0.75 KLK5 (0.37) OPRM1OPRD1LTA4HMAPTNPSR1
SCHEMBL2059429 0.74 MAPT (0.33) MAPTNPSR1MAPK1RECQLPOLB
SCHEMBL2059352 0.73 SCN4A (0.51) OPRM1SCN4APOLBKMT2AL3MBTL1
SCHEMBL28799140 0.72 AAK1 (0.40) LTA4HMAPTNPSR1MAPK1RECQL

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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 OPRM1 3692/4885OPRD1 3760/4885LTA4H 1553/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 OPRM1 3463/4885OPRD1 3493/4885LTA4H 1477/4885

“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.