Sugi Predict

Sugi Predict / Compounds / SCHEMBL756847

SCHEMBL756847

SCHEMBL756847

O=C(O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ POLB P06746 3/20 0.52
▸ HRH4 Q9H3N8 1/20 0.51
▸ MME P08473 2/20 0.50
▸ ACE P12821 2/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ CTSS P25774 2/20 0.49
▸ CTSL P07711 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ CTSB P07858 1/20 0.46
▸ PIN1 Q13526 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CALCRL Q16602 1/20 0.46

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
SCHEMBL2780950 1.00 KDM4E (0.55) KDM4EALDH1A1TSHRHSD17B10POLB
SCHEMBL10586443 0.90 CTSS (0.51) KDM4EALDH1A1TSHRHSD17B10HRH4
Leucine SCHEMBL1406254 0.89 MMP2 (0.50) KDM4EALDH1A1TSHRHSD17B10POLB
SCHEMBL9631257 0.89 POLB (0.53) KDM4EALDH1A1TSHRHSD17B10POLB
Leucine SCHEMBL3812226 0.87 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10MME
SCHEMBL233988 0.87 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10HRH4
Leucine SCHEMBL5528909 0.87 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10POLB
Leucine SCHEMBL8202526 0.86 MMP2 (0.48) KDM4EALDH1A1TSHRHSD17B10POLB
Leucine SCHEMBL2297615 0.86 MMP2 (0.49) KDM4EALDH1A1TSHRHSD17B10HRH4
SCHEMBL7272341 0.85 SMN1; SMN2 (0.55) KDM4EALDH1A1HRH4MMEACE

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 31 patents — showing the first 20. 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-1575914-B1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS TAIMED BIOLOG INC (TW) 2013-10-16 — — EP 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-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
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 — — US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 — — EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 — — EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 — — EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 — — WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP 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-20060025592-A1 Lysine based compounds DOT1L, H1-2, H1-0 KDM4E 53/4885ALDH1A1 1740/4885TSHR 1638/4885
US-20120053139-A1 METHOD FOR IMPROVING PHARMACOKINETICS OF PROTEASE INHIBITORS AND PROTEASE INHIBITOR PRECURSORS SPINT2, PREP, F2RL1 KDM4E 1498/4885ALDH1A1 1562/4885TSHR 3131/4885

“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.