Sugi Predict

Sugi Predict / Compounds / SCHEMBL601561

SCHEMBL601561

SCHEMBL601561

CC(C)(C)OC(=O)/N=C(/N)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CA12 O43570 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ CTSK P43235 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL3728300 1.00 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL601562 1.00 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL3808762 0.86 CRBN (0.34) MAOAMAOBCTSKDGAT1
SCHEMBL3808765 0.86 CRBN (0.34) MAOAMAOBCTSKDGAT1
SCHEMBL18421858 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL4715528 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL14765111 0.85 MAOA (0.36) MAOAMAOBCA12CA14CTSK
SCHEMBL15324528 0.83 APLNR (0.40) MAOAMAOBCA12CA14CTSK
SCHEMBL6379683 0.80 DGAT1 (0.34) MAOAMAOBCTSKTDP1DGAT1
SCHEMBL3144118 0.80 TDP1 (0.35) CA12CA14NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 — — WO disclosed
US-9371350-B2 Trehalose derivatives and pharmaceutical compositions for treating neurodegenerative diseases POSTECH FOUNDATION (KR) 2016-06-21 — — US disclosed
WO-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 — — WO disclosed
US-20150025035-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2015-01-22 — — US disclosed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 — — US disclosed
US-20130274229-A1 ENHANCED ANTI-INFLUENZA AGENTS CONJUGATED WITH ANTI-INFLAMMATORY ACTIVITY ACADEMIA SINICA (TW) 2013-10-17 — — US disclosed
US-20120189601-A1 ASSISTED ENZYME REPLACEMENT THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 — — US disclosed
EP-2450392-A1 POLYIONIC DENDRIMER AND HYDROGEL COMPRISING SAME Japan Science And Technology Agency (JP) 2012-05-09 — — EP disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 — — WO disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 — — US disclosed
WO-2010132765-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-10-13 — — WO disclosed
WO-2011123856-A1 NEURAMINIDASE INHIBITORS TSRL, INC. (US) 2011-10-06 — — WO disclosed
US-7935782-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2011-05-03 — — US disclosed
WO-2011044501-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 — — WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 — — WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 — — WO disclosed
US-20090306335-A1 MULTIFUNCTIONAL DEGRADABLE NANOPARTICLES WITH CONTROL OVER SIZE AND FUNCTIONALITIES NATIONAL SCIENCE FOUNDATION 2009-12-10 — — US disclosed
WO-2009129305-A2 PRODRUGS OF NEURAMINIDASE INHIBITORS TSRL, INC. (US) 2009-10-22 — — 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-20130274229-A1 ENHANCED ANTI-INFLUENZA AGENTS CONJUGATED WITH ANTI-INFLAMMATORY ACTIVITY NEU1, CTSA, CA7 MAOA 122/4885MAOB 426/4885CA12 103/4885
US-20120189601-A1 ASSISTED ENZYME REPLACEMENT THERAPY GAA, GLA, ENPEP MAOA 170/4885MAOB 249/4885CA12 1046/4885
US-20150025035-A1 INOSITOL AND TREHALOSE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COMPRISING THE SAME HTT, TREH, ITPA MAOA 2060/4885MAOB 1806/4885CA12 3914/4885
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR MAOA 1437/4885MAOB 1184/4885CA12 4836/4885

“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.