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SCHEMBL2059402

SCHEMBL2059402

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.57
▸ CTSS P25774 4/20 0.49
▸ CTSK P43235 2/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ PSEN1 P49768 4/20 0.48
▸ PSEN2 P49810 4/20 0.48
▸ APH1B Q8WW43 4/20 0.48
▸ NCSTN Q92542 4/20 0.48
▸ APH1A Q96BI3 4/20 0.48
▸ PSENEN Q9NZ42 4/20 0.48
▸ APP P05067 4/20 0.48
▸ KLK5 Q9Y337 2/20 0.48
▸ ACE P12821 1/20 0.45
▸ AKT1 P31749 2/20 0.45
▸ SYK P43405 1/20 0.43

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
SCHEMBL8947270 1.00 ATM (0.57) ATMCTSSCTSKCTSLCTSB
SCHEMBL8481817 1.00 ATM (0.57) ATMCTSSCTSKCTSLCTSB
SCHEMBL893529 0.88 UGT1A1 (0.49) ATMCTSSCTSKCTSLCTSB
SCHEMBL2438229 0.86 ATM (0.51) ATMCTSSCTSKCTSLCTSB
SCHEMBL8769837 0.83 CTRB1 (0.48) CTSSCTSK
SCHEMBL7270247 0.82 ATM (0.62) ATMCTSSCTSKCTSLCTSB
SCHEMBL7301095 0.82 ATM (0.62) ATMCTSSCTSKCTSLCTSB
SCHEMBL16281958 0.82 ATM (0.62) ATMCTSSCTSKCTSLCTSB
SCHEMBL7299571 0.82 ATM (0.62) ATMCTSSCTSKCTSLCTSB
SCHEMBL7305946 0.82 ATM (0.62) ATMCTSSCTSKCTSLCTSB

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724563-B1 Intermediates for the preparation of a substituted 2,5-diamino-3-hydroxyhexane. ABBOTT LAB (US) 1999-09-01 — — EP claimed
US-5654466-A Process for the preparation of a disubstituted 2,5-diamino-3-hydroxyhexane ABBOTT LABORATORIES (US) 1997-08-05 — — US claimed
EP-0724563-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE ABBOTT LABORATORIES (US) 1996-08-07 — — EP claimed
WO-1995011224-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE ABBOTT LABORATORIES (US) 1995-04-27 — — WO 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
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — US disclosed
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 — — US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 — — US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 — — US disclosed
EP-0916646-B1 Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane ABBOTT LAB (US) 2003-05-02 — — EP disclosed
US-5508409-A Process for the preparation of a substituted 2.5-diamino-3-hydroxyhexane ABBOTT LABORATORIES (US) 1996-04-16 — — US disclosed
US-5491253-A Process for the preparation of a substituted 2,5-diamino-3-hydroxyhexane ABBOTT LABORATORIES (US) 1996-02-13 — — US disclosed
US-5484801-A Pharmaceutical composition for inhibiting HIV protease ABBOTT LABORATORIES (US) 1996-01-16 — — US disclosed
WO-1995020384-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING HIV PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-08-03 — — WO disclosed
WO-1995011224-A1 PROCESS FOR THE PREPARATION OF A SUBSTITUTED 2,5-DIAMINO-3-HYDROXYHEXANE ABBOTT LABORATORIES (US) 1995-04-27 — — WO disclosed
WO-1995009614-A1 PHARMACEUTICAL COMPOSITION ABBOTT LABORATORIES (US) 1995-04-13 — — WO disclosed
WO-1995007696-A1 PHARMACEUTICAL COMPOSITION OF HIV-PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-23 — — WO disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 — — 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 (4 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 ATM 4563/4885CTSS 93/4885CTSK 168/4885
US-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 ATM 4658/4885CTSS 83/4885CTSK 242/4885
US-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 ATM 4659/4885CTSS 83/4885CTSK 182/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ATM 1678/4885CTSS 277/4885CTSK 298/4885

“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.

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