SCHEMBL762079

SCHEMBL762079

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
TACR1 P25103 1/20 0.43
CYP2D6 P10635 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
MME P08473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CTRB1 P17538 2/20 0.41

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
SCHEMBL14278787 1.00 SRC (0.48) SRCKMT2AMEN1SMN1; SMN2MTNR1A
SCHEMBL4799364 1.00 SRC (0.48) SRCKMT2AMEN1SMN1; SMN2MTNR1A
SCHEMBL4800666 0.84 POLB (0.49) KMT2AMEN1CYP2D6POLBLMNA
SCHEMBL1883301 0.84 KMT2A (0.55) KMT2AMEN1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL1883304 0.84 KMT2A (0.55) KMT2AMEN1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL19625534 0.83 CA1 (0.52) SRCKMT2AMEN1SMN1; SMN2MTNR1A
SCHEMBL2331132 0.83 MME (0.51) SRCKMT2AMEN1SMN1; SMN2MTNR1A
SCHEMBL2329884 0.83 MME (0.51) SRCKMT2AMEN1SMN1; SMN2MTNR1A
SCHEMBL10346709 0.83 CA1 (0.52) SRCKMT2AMEN1SMN1; SMN2MTNR1A
SCHEMBL10346708 0.83 CA1 (0.52) SRCKMT2AMEN1SMN1; SMN2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 EP disclosed
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
US-9133157-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-09-15 US 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-20140303171-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-10-09 US 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-1575914-B1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS TAIMED BIOLOG INC (TW) 2013-10-16 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
US-7321055-B2 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2008-01-22 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-20070032658-A1 Production method of optically active dephenylalanine compounds AJINOMOTO CO., INC. (JP) 2007-02-08 US 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
EP-1575914-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2005-09-21 EP disclosed
WO-2004056764-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2004-07-08 WO disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 US disclosed
WO-1993015042-A1 PROCESS FOR THE PREPARATION OF D(-) AND L(+)-3,3-DIPHENYLALANINE AND D(-) AND L(+)-SUBSTITUTED 3,3-DIPHENYLALANINES AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1993-08-05 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 (5 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 SRC 1748/4885KMT2A 12/4885MEN1 2117/4885
US-20060287316-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS SPINT2, PREP, F2RL1 SRC 2437/4885KMT2A 1225/4885MEN1 3286/4885
US-20140303171-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, PRSS3 SRC 3317/4885KMT2A 2167/4885MEN1 3595/4885
US-20120053139-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS SPINT2, PREP, F2RL1 SRC 2437/4885KMT2A 1225/4885MEN1 3286/4885
US-20070032658-A1 Production method of optically active dephenylalanine compounds TYR, PAH, DDC SRC 3616/4885KMT2A 788/4885MEN1 1904/4885

“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.