SCHEMBL757454

SCHEMBL757454

COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.62
ACE P12821 5/20 0.62
CPA1 P15085 2/20 0.62
ACE2 Q9BYF1 2/20 0.62
CA2 P00918 1/20 0.57
PIN1 Q13526 3/20 0.57
CTSB P07858 2/20 0.57
CTSS P25774 2/20 0.57
PTPN1 P18031 2/20 0.57
CTSL P07711 1/20 0.57
CTSK P43235 1/20 0.57
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
TACR1 P25103 1/20 0.52

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
SCHEMBL2779203 1.00 MME (0.62) MMEACECPA1ACE2CA2
SCHEMBL1519727 0.87 CTSS (0.74) MMEACECPA1ACE2CA2
SCHEMBL29436862 0.87 CTSS (0.74) MMEACECPA1ACE2CA2
SCHEMBL3821361 0.87 CTSS (0.74) MMEACECPA1ACE2CA2
SCHEMBL29401906 0.87 CTSS (0.74) MMEACECPA1ACE2CA2
SCHEMBL29397962 0.87 CTSS (0.74) MMEACECPA1ACE2CA2
SCHEMBL1519731 0.87 CTSS (0.74) MMEACECPA1ACE2CA2
SCHEMBL29481445 0.87 CTSS (0.74) MMEACECPA1ACE2CA2
SCHEMBL607215 0.86 MME (0.65) MMEACECPA1ACE2CA2
SCHEMBL8712438 0.86 MME (0.65) MMEACECPA1ACE2CA2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2165709-B1 Pharmaceutical compositions comprising a lysine based compound and an HIV antiviral or antiretroviral agent AMBRILIA BIOPHARMA INC (CA) 2016-03-16 EP disclosed
EP-1877091-B1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS TAIMED BIOLOG INC (TW) 2015-03-25 EP disclosed
US-8580995-B2 Lysine-based prodrugs of aspartyl protease inhibitors and processes for their preparation TAIMED BIOLOGICS, INC. (TW) 2013-11-12 US disclosed
EP-2258680-B1 Aromatic derivatives as HIV aspartyl protease inhibitors TAIMED BIOLOG INC (TW) 2012-09-19 EP disclosed
US-8227450-B2 Lysine-based prodrugs of aspartyl protease inhibitors and processes for their preparation AMBRILIA BIOPHARMA INC. (CA) 2012-07-24 US disclosed
US-20120053139-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS AMBRILIA BIOPHARMA INC. (CA) 2012-03-01 US disclosed
US-8008297-B2 (1-{5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-phosphonooxy-hexacarbomoyl}-2,2-diphenyl-ethyl)-carbamic acid methyl ester; which upon cleavage of cleavable bond or unit generates HIV-1 aspartyl protease inhibitor; antiviral agent; good solubility, and bioavailability; HIV or HTLV infection AMBRILIA BIOPHARMA INC. (CA) 2011-08-30 US disclosed
EP-2258680-A2 Aromatic derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
EP-2258681-A2 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
US-20100130765-A1 LYSINE-BASED PRODRUGS OF ASPARTYL PROTEASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION AMBRILIA BIOPHARMA INC. (CA) 2010-05-27 US disclosed
EP-2165709-A2 Lysine based compounds Ambrilia Biopharma Inc. (CA) 2010-03-24 EP disclosed
US-20090253926-A1 Lysine-based prodrugs of aspartyl protease inhibitors and processes for their preparation AMBRILLA BIOPHARMA INC. (CA) 2009-10-08 US disclosed
EP-1773763-B1 LYSINE BASED COMPOUNDS AMBRILIA BIOPHARMA INC (CA) 2008-12-17 EP disclosed
US-20080269172-A1 Lysine based compounds TAIMED BIOLOGICS, INC. (TW) 2008-10-30 US disclosed
US-7388008-B2 Lysine based compounds AMBRILIA BIOPHARMA INC. (CA) 2008-06-17 US disclosed
EP-1877091-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS Ambrilia Biopharma Inc. (CA) 2008-01-16 EP disclosed
US-20060287316-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS AMBRILIA BIOPHARMA INC. (CA) 2006-12-21 US disclosed
WO-2006114001-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS AMBRILIA BIOPHARMA INC. (CA) 2006-11-02 WO disclosed
US-20060025592-A1 Lysine based compounds TAIMED BIOLOGICS, INC. (TW) 2006-02-02 US disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 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 (6 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-20060025592-A1 Lysine based compounds DOT1L, H1-2, H1-0 MME 1749/4885ACE 1102/4885CPA1 2048/4885
US-20060287316-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS SPINT2, PREP, F2RL1 MME 53/4885ACE 78/4885CPA1 90/4885
US-20090253926-A1 Lysine-based prodrugs of aspartyl protease inhibitors and processes for their preparation PREP, SPINT2, DNPEP MME 50/4885ACE 36/4885CPA1 116/4885
US-20120053139-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS SPINT2, PREP, F2RL1 MME 53/4885ACE 78/4885CPA1 90/4885
US-20080269172-A1 Lysine based compounds DOT1L, H1-2, H1-0 MME 1749/4885ACE 1102/4885CPA1 2048/4885
US-20100130765-A1 LYSINE-BASED PRODRUGS OF ASPARTYL PROTEASE INHIBITORS AND PROCESSES FOR THEIR PREPARATION PREP, SPINT2, HPN MME 52/4885ACE 42/4885CPA1 132/4885

“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.