Sugi Predict

Sugi Predict / Compounds / SCHEMBL469785

SCHEMBL469785

SCHEMBL469785

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NR1D1 P20393 1/20 0.30
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL17521944 0.93 ALDH1A1 (0.31) ALDH1A1L3MBTL1STING1
SCHEMBL4565384 0.93 MEN1 (0.34) ALDH1A1L3MBTL1STING1
SCHEMBL16100071 0.93 MEN1 (0.34) ALDH1A1L3MBTL1STING1
SCHEMBL12348353 0.91 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL14754893 0.90 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6712289 0.88 ALDH1A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL12250920 0.87 — —
SCHEMBL15000849 0.85 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL24570975 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1STING1HDAC3HDAC1
SCHEMBL16334088 0.85 ALDH1A1 (0.33) ALDH1A1L3MBTL1STING1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254786-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2022-02-22 — — US disclosed
CN-111302962-A Rapid method for reducing nitro in aliphatic nitro compound into amino 深圳市燃气集团股份有限公司 2020-06-19 — — CN disclosed
US-10442890-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2019-10-15 — — US disclosed
US-20180142061-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities UNIV VANDERBILT (US) 2018-05-24 — — US disclosed
US-20180142061-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities UNIV VANDERBILT (US) 2018-05-24 — — US disclosed
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 — — US disclosed
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 — — US disclosed
US-9856348-B2 Multifunctional degradable nanoparticles with control over size and functionalities VANDERBILT UNIVERSITY (US) 2018-01-02 — — US disclosed
US-20170313656-A1 Branched Discrete PEG Constructs QUANTA BIODESIGN, LTD. 2017-11-02 — — US disclosed
EP-2637705-B1 CONJUGATES AND THEIR USES IN MOLECULAR IMAGING KING S COLLEGE LONDON (GB) 2017-03-29 — — EP disclosed
US-20080221043-A1 Guanidinium compounds for drug delivery VANDERBILT UNIVERSITY 2008-09-11 — — US disclosed
US-20080221043-A1 Guanidinium compounds for drug delivery VANDERBILT UNIVERSITY 2008-09-11 — — US disclosed
WO-2008024435-A2 DENDRITIC MOLECULAR INTRACELLULAR TRANSPORTERS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-02-28 — — WO disclosed
US-20070142663-A1 T-butyl cascade polymers THE UNIVERSITY OF SOUTH FLORIDA 2007-06-21 — — US disclosed
US-20070142663-A1 T-butyl cascade polymers THE UNIVERSITY OF SOUTH FLORIDA 2007-06-21 — — US disclosed
US-7183426-B2 T-butyl cascade polymers NEWKOME GEORGE R 2007-02-27 — — US disclosed
US-7183426-B2 T-butyl cascade polymers NEWKOME GEORGE R 2007-02-27 — — US disclosed
EP-0638060-A4 T-BUTYL CASCADE POLYMERS. UNIV SOUTH FLORIDA (US) 1995-04-19 — — EP disclosed
EP-0638060-A1 T-BUTYL CASCADE POLYMERS UNIVERSITY OF SOUTH FLORIDA (US) 1995-02-15 — — EP disclosed
WO-1993021144-A1 T-BUTYL CASCADE POLYMERS UNIVERSITY OF SOUTH FLORIDA (US) 1993-10-28 — — 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 (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-11254786-B2 Multifunctional degradable nanoparticles with control over size and functionalities DSTN, PARN, CTSA ALDH1A1 1776/4885L3MBTL1 2435/4885STING1 2150/4885
US-20170313656-A1 Branched Discrete PEG Constructs BTD, IDUA, DNPEP ALDH1A1 939/4885L3MBTL1 567/4885STING1 2568/4885
US-10442890-B2 Multifunctional degradable nanoparticles with control over size and functionalities DSTN, PARN, CTSA ALDH1A1 1776/4885L3MBTL1 2435/4885STING1 2150/4885
US-20080221043-A1 Guanidinium compounds for drug delivery GMPS, GUCY1A1, GUCY1A2 ALDH1A1 2084/4885L3MBTL1 1458/4885STING1 530/4885
US-20180142061-A1 Multifunctional Degradable Nanoparticles with Control over Size and Functionalities DSTN, PARN, CTSA ALDH1A1 1776/4885L3MBTL1 2435/4885STING1 2150/4885
US-20070142663-A1 T-butyl cascade polymers TNK1, TST, TNNI3K ALDH1A1 3616/4885L3MBTL1 2645/4885STING1 2490/4885

“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.