SCHEMBL623749

SCHEMBL623749

O=C1NC(=S)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.77
GSK3B P49841 1/20 0.77
PIK3CG P48736 2/20 0.71
PIM1 P11309 12/20 0.69
INSR P06213 3/20 0.64
IGF1R P08069 3/20 0.64
PIK3CA P42336 1/20 0.60
RXRA P19793 1/20 0.60

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
SCHEMBL623750 1.00 GSK3A (0.77) GSK3AGSK3BPIK3CGPIM1INSR
SCHEMBL623748 1.00 GSK3A (0.77) GSK3AGSK3BPIK3CGPIM1INSR
SCHEMBL14277836 0.89 GSK3A (0.79) GSK3AGSK3BPIK3CGPIM1INSR
SCHEMBL14411129 0.89 IGF1R (0.65) GSK3AGSK3BPIK3CGPIM1INSR
SCHEMBL5119787 0.89 IGF1R (0.65) GSK3AGSK3BPIK3CGPIM1INSR
SCHEMBL5119790 0.89 IGF1R (0.65) GSK3AGSK3BPIK3CGPIM1INSR
SCHEMBL10118546 0.87 GSK3B (1.00) GSK3AGSK3BPIM1
SCHEMBL15312944 0.87 GSK3B (1.00) GSK3AGSK3BPIM1
SCHEMBL15315398 0.86 PIK3CG (0.71) GSK3AGSK3BPIK3CGINSRIGF1R
SCHEMBL3898808 0.86 IGF1R (0.80) GSK3AGSK3BPIK3CGINSRIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO disclosed
US-20080051445-A1 2-Thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways NATIONAL INSTITUTE OF IMMUNOLOGY. 2008-02-28 US disclosed
EP-1834642-A2 2-thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways National Institute of Immunology (IN) 2007-09-19 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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT GSK3A 4773/4885GSK3B 4721/4885PIK3CG 3728/4885
US-20080051445-A1 2-Thioxothiazolidin-4-one compounds and compositions as antimicrobial and antimalarial agents targeting enoyl-ACP reductase of type II fatty acid synthesis pathway and other cell growth pathways FASN, FADS2, TECR GSK3A 4636/4885GSK3B 4629/4885PIK3CG 2837/4885

“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.