SCHEMBL2059429

SCHEMBL2059429

Cc1ccnc(C)c1C(O)C(=O)[C@@H](C(N)c1ccccc1)[C@@H](O)C[C@H](C(=O)OC(C)(C)C)C(N)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
NPSR1 Q6W5P4 5/20 0.33
RECQL P46063 3/20 0.33
POLB P06746 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.32
LNPEP Q9UIQ6 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL2059548 0.78 RET (0.31)
SCHEMBL2059554 0.74 OPRM1 (0.35) MAPTNPSR1RECQLPOLBMAPK1
SCHEMBL2059579 0.73 L3MBTL1 (0.33)
SCHEMBL28799140 0.71 AAK1 (0.40) MAPTNPSR1RECQLPOLBMAPK1
SCHEMBL27877837 0.71 AAK1 (0.40) MAPTNPSR1RECQLPOLBMAPK1
SCHEMBL8330081 0.69 AAK1 (0.39) NPSR1MEN1KMT2AALDH1A1
SCHEMBL8330084 0.69 AAK1 (0.39) NPSR1MEN1KMT2AALDH1A1
SCHEMBL6703239 0.68 AAK1 (0.40) NPSR1POLBMEN1KMT2A
SCHEMBL2059438 0.68 ITGA4 (0.42) MAPTNPSR1RECQLPOLBALDH1A1
SCHEMBL27892297 0.68 AAK1 (0.36) NPSR1

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 5 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
EP-0882024-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2002-02-06 EP 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 (1 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 MAPT 2773/4885NPSR1 4432/4885RECQL 2560/4885

“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.