SCHEMBL9906231

SCHEMBL9906231

CC(=O)CCCCC(S)CCS

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.40
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.35
GSTK1 Q9Y2Q3 2/20 0.35
ENPEP Q07075 2/20 0.34
FOLH1 Q04609 5/20 0.33
ANPEP P15144 1/20 0.32
LMNA P02545 1/20 0.31
SLC15A2 Q16348 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
SCHEMBL37411 0.81 ENPEP (0.39) GSTK1ENPEPFOLH1ANPEP
Dihydrolipoic Acid SCHEMBL867951 0.81 FOLH1 (0.56) GSTK1ENPEPFOLH1ANPEPLMNA
Dihydrolipoic Acid SCHEMBL19773 0.81 FOLH1 (0.56) GSTK1ENPEPFOLH1ANPEPLMNA
Dihydrolipoic Acid SCHEMBL618576 0.81 FOLH1 (0.56) GSTK1ENPEPFOLH1ANPEPLMNA
Dihydrolipoic Acid SCHEMBL1115003 0.81 FOLH1 (0.56) GSTK1ENPEPFOLH1ANPEPLMNA
SCHEMBL12852188 0.80 PAOX (0.38) PAOXALDH1A1ACHEFOLH1
Dihydrolipoic Acid SCHEMBL2578740 0.79 FOLH1 (0.54) GSTK1ENPEPFOLH1ANPEPLMNA
SCHEMBL6809842 0.79 GSTK1 (0.57) ALDH1A1GSTK1ENPEPFOLH1ANPEP
SCHEMBL2576303 0.79 ENPEP (0.38) GSTK1ENPEPFOLH1ANPEP
SCHEMBL21611884 0.79 GSTK1 (0.57) ALDH1A1GSTK1ENPEPFOLH1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170168042-A1 CONTROLLING THE ARCHITECTURE, COORDINATION, AND REACTIVITY OF NANOPARTICLE COATING UTILIZING AN AMINO ACID CENTRAL SCAFFOLD The Florida State University Research Foundation, Inc. 2017-06-15 US disclosed
US-9304124-B2 Compact multifunctional ligand to enhance colloidal stability of nanoparticles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2016-04-05 US disclosed
US-9304124-B2 Compact multifunctional ligand to enhance colloidal stability of nanoparticles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2016-04-05 US disclosed
US-9125940-B2 Compositions and methods for treating macular edema MA ZHUNING (US) 2015-09-08 US disclosed
US-8586625-B2 Derivatives of taxol and closely related compounds RAYAN ANWAR (IL) 2013-11-19 US disclosed
US-8586625-B2 Derivatives of taxol and closely related compounds RAYAN ANWAR (IL) 2013-11-19 US disclosed
US-20130296390-A1 METHOD AND COMPOSITIONS FOR ENHANCING THE SAFETY OF ORALLY ADMINISTERED MAGNESIUM ALPHA-LIPOATE BIOLINK LIFE SCIENCES, INC. (US) 2013-11-07 US disclosed
US-8512755-B2 Compact multifunctional ligand to enhance colloidal stability of nanoparticles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-08-20 US disclosed
US-8512755-B2 Compact multifunctional ligand to enhance colloidal stability of nanoparticles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-08-20 US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 US disclosed
WO-2013025347-A1 COMPACT MULTIFUNCTIONAL LIGAND TO ENHANCE COLLOIDAL STABILITY OF NANOPARTICLES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-02-21 WO disclosed
US-20120201830-A1 COMPOSITIONS AND METHODS FOR TREATING MACULAR EDEMA Micha Advanced Health 2012-08-09 US disclosed
US-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 US disclosed
US-20110038955-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE ALFAMA - INVESTIGACAO E DESENVOLVIMENTO DE PRODUTOS FARMACEUTICOS, LDA. (PT) 2011-02-17 US disclosed
US-20100311080-A1 WATER-SOLUBLE NANOCRYSTALS THROUGH DUAL-INTERACTION LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2010-12-09 US disclosed
US-20100298421-A1 DERIVATIVES OF TAXOL AND CLOSELY RELATED COMPOUNDS RAYAN ANWAR 2010-11-25 US disclosed
US-20100298421-A1 DERIVATIVES OF TAXOL AND CLOSELY RELATED COMPOUNDS RAYAN ANWAR 2010-11-25 US disclosed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 US disclosed
WO-2009090614-A2 DERIVATIVES OF TAXOL AND CLOSELY RELATED COMPOUNDS RAYAN ANWAR (IL) 2009-07-23 WO disclosed
US-7220818-B2 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-22 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 (7 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-20100298421-A1 DERIVATIVES OF TAXOL AND CLOSELY RELATED COMPOUNDS TBCA, TUBA1C, TUBB6 PAOX 936/4885ALDH1A1 920/4885ACHE 3481/4885
US-20120201830-A1 COMPOSITIONS AND METHODS FOR TREATING MACULAR EDEMA ALOX15B, ALOX15, ALOX12 PAOX 18/4885ALDH1A1 1972/4885ACHE 4376/4885
US-20130296390-A1 METHOD AND COMPOSITIONS FOR ENHANCING THE SAFETY OF ORALLY ADMINISTERED MAGNESIUM ALPHA-LIPOATE HLCS, LIPA, PROC PAOX 1297/4885ALDH1A1 2312/4885ACHE 2085/4885
US-20110038955-A1 PREVENTION OF GASTRIC ULCER BY CARBON MONOXIDE PTGS1, PTGS2, NOS2 PAOX 1884/4885ALDH1A1 487/4885ACHE 3428/4885
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, ALOX12 PAOX 308/4885ALDH1A1 787/4885ACHE 2080/4885
US-20170168042-A1 CONTROLLING THE ARCHITECTURE, COORDINATION, AND REACTIVITY OF NANOPARTICLE COATING UTILIZING AN AMINO ACID CENTRAL SCAFFOLD CLTA, ALAD, PELP1 PAOX 3534/4885ALDH1A1 1706/4885ACHE 2090/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT PAOX 195/4885ALDH1A1 773/4885ACHE 1245/4885

“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.