SCHEMBL63305

SCHEMBL63305

CCC(O)C=CCC(O)=S

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.41
CMKLR1 Q99788 1/20 0.34

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
SCHEMBL4434336 0.77 ALDH1A1 (0.48) GAPDHCMKLR1
SCHEMBL26632991 0.73
SCHEMBL4439607 0.72
SCHEMBL10250125 0.72
SCHEMBL9176329 0.72
SCHEMBL4439604 0.72
SCHEMBL9176333 0.72
SCHEMBL3398848 0.71 GAPDH (0.60) GAPDHCMKLR1
SCHEMBL3398850 0.71 GAPDH (0.60) GAPDHCMKLR1
SCHEMBL3281352 0.70

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023875-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-8759512-B2 Methods of preparation of macrocyclic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-06-24 US disclosed
US-20140031400-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-01-30 US disclosed
US-8357708-B2 Macrocyclic compounds and methods of treatment University of Florida Resesarch Foundation, Inc. (US) 2013-01-22 US disclosed
EP-2543383-A1 Macrocyclic compounds and methods of treatment University of Florida Research Foundation, Inc. (US) 2013-01-09 EP disclosed
EP-2190449-B1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIV FLORIDA (US) 2012-08-22 EP disclosed
US-20120095065-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-04-19 US disclosed
US-8129418-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2012-03-06 US disclosed
US-20110118323-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-19 US disclosed
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2011-04-21 US disclosed
EP-2190449-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT University of Florida Research Foundation, Inc. (US) 2010-06-02 EP disclosed
WO-2009105284-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-08-27 WO disclosed
WO-2009032352-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-03-12 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-20110118323-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT MKI67, MCL1, MYC GAPDH 1384/4885CMKLR1 2017/4885
US-20120095065-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT MKI67, MCL1, MYC GAPDH 1384/4885CMKLR1 2017/4885
US-20110092697-A1 METHODS OF PREPARATION OF MACROCYCLIC COMPOUNDS MKI67, CCNC, PCNA GAPDH 1560/4885CMKLR1 3385/4885
US-20140031400-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT MKI67, MCL1, MYC GAPDH 1384/4885CMKLR1 2017/4885

“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.