Sugi Predict

Sugi Predict / Compounds / SCHEMBL2059005

SCHEMBL2059005

SCHEMBL2059005

Cc1ccnc(C)c1OCC(=O)[C@@H](C(N)c1ccccc1)[C@@H](O)C[C@@H](N)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 4/20 0.39
▸ F2 P00734 1/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.33
▸ UBE2N P61088 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ ABCC3 O15438 1/20 0.32
▸ ABCC4 O15439 1/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ HTR2B P41595 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
SCHEMBL2059352 0.89 SCN4A (0.51) SCN4AF2KMT2AEPHX1CHRM1
SCHEMBL5373760 0.80 ABCC3 (0.47) SCN4AF2KMT2ACHRM1ABCC3
SCHEMBL7994627 0.77 CYP3A4 (0.60) CHRM1ABCC3ABCC4ABCB11PGR
SCHEMBL2059413 0.75 SCN4A (0.46) SCN4AKMT2AALDH1A1CHRM1ABCC3
SCHEMBL2059527 0.73 ATM (0.46) SCN4AKMT2ACHRM1ABCC3ABCC4
SCHEMBL2059530 0.73 ATM (0.46) SCN4AKMT2ACHRM1ABCC3ABCC4
SCHEMBL2058998 0.73 KMT2A (0.44) SCN4AKMT2ACYP3A4
SCHEMBL2059428 0.72 MAPT (0.36) KMT2AALDH1A1CHRM1ABCC3ABCC4
SCHEMBL2059438 0.71 ITGA4 (0.42) EPHX1ALDH1A1CHRM1
SCHEMBL5373767 0.69 CCR1 (0.41) F2

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
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 — — 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 (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 SCN4A 4599/4885F2 2784/4885KMT2A 2968/4885
US-20020004503-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 SCN4A 4596/4885F2 2892/4885KMT2A 3171/4885

“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.