Sugi Predict

Sugi Predict / Compounds / SCHEMBL2059526

SCHEMBL2059526

SCHEMBL2059526

Cc1cccc(C)c1OCC(=O)[C@@H](C(N)c1ccccc1)[C@@H](O)C[C@H](C(=O)CC(C)CN1CCCC1=O)C(N)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRA1A P35348 2/20 0.34
▸ ABCC3 O15438 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ AOC2 O75106 3/20 0.33

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
SCHEMBL2059339 0.89 SCN4A (0.33) KMT2AADRA1AABCC3ABCC4ABCB11
SCHEMBL2058967 0.88 ABCC3 (0.38) MEN1KMT2AADRA1AABCC3ABCC4
SCHEMBL4948455 0.87 ABCC3 (0.32) MEN1KMT2AADRA1AABCC3ABCC4
SCHEMBL2059529 0.87 ABCC3 (0.32) MEN1KMT2AADRA1AABCC3ABCC4
SCHEMBL6992841 0.81 ABCC3 (0.33) ADRA1AABCC3ABCC4ABCB11PGR
SCHEMBL2059413 0.75 SCN4A (0.46) MEN1KMT2AADRA1AABCC3ABCC4
SCHEMBL7988988 0.73 CYP3A4 (0.61) KMT2AADRA1AABCC3ABCC4ABCB11
SCHEMBL2059352 0.71 SCN4A (0.51) KMT2AADRA1AABCC3ABCC4ABCB11
SCHEMBL2059514 0.70 RET (0.32) PER2
SCHEMBL5365281 0.69 ABCC3 (0.60) MEN1KMT2AADRA1AABCC3ABCC4

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-20020004503-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2002-01-10 — — US claimed
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
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
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-1997021685-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1997-06-19 — — WO disclosed
WO-1997021683-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 (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 MEN1 4112/4885KMT2A 2968/4885ADRA1A 4795/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 MEN1 3727/4885KMT2A 3171/4885ADRA1A 4744/4885

“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.