SCHEMBL3904210

SCHEMBL3904210

COc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.72
HSPE1 P61604 1/20 0.72
IGF1R P08069 4/20 0.67
INSR P06213 2/20 0.67
CSNK2A2 P19784 1/20 0.64
CLK1 P49759 1/20 0.64
CSNK2B P67870 1/20 0.64
CSNK2A1 P68400 1/20 0.64
DYRK1A Q13627 1/20 0.64
DYRK1B Q9Y463 1/20 0.64
GSK3B P49841 1/20 0.64
PIK3CG P48736 4/20 0.60
PIM1 P11309 1/20 0.57
MAP3K5 Q99683 1/20 0.57
PIK3CA P42336 1/20 0.56
CA2 P00918 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.54

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
SCHEMBL3904211 1.00 HSPD1 (0.72) HSPD1HSPE1IGF1RINSRCSNK2A2
SCHEMBL623839 0.86 PIK3CG (0.82) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL623840 0.86 PIK3CG (0.82) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL623841 0.86 PIK3CG (0.82) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL13388762 0.86 IGF1R (0.72) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL6388205 0.85 HSPD1 (0.65) HSPD1HSPE1IGF1RINSRCLK1
SCHEMBL6388201 0.85 HSPD1 (0.65) HSPD1HSPE1IGF1RINSRCLK1
SCHEMBL3904134 0.84 IGF1R (0.72) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL3897382 0.84 IGF1R (0.79) HSPD1HSPE1IGF1RINSRPIK3CG
SCHEMBL3904132 0.84 IGF1R (0.72) HSPD1HSPE1IGF1RINSRGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US claimed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 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 (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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 HSPD1 1909/4885HSPE1 1668/4885IGF1R 1698/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 HSPD1 2657/4885HSPE1 2257/4885IGF1R 3619/4885

“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.