SCHEMBL3896735

SCHEMBL3896735

COc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.61
HSPE1 P61604 1/20 0.61
IGF1R P08069 4/20 0.61
INSR P06213 3/20 0.61
GSK3B P49841 5/20 0.60
GSK3A P49840 3/20 0.60
HTRA2 O43464 1/20 0.56
PIK3CG P48736 3/20 0.56
PDE4B Q07343 1/20 0.54
PDE3A Q14432 1/20 0.54
TTR P02766 1/20 0.53
CDK2 P24941 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.51

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
SCHEMBL3896737 1.00 HSPD1 (0.61) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL6388201 0.90 HSPD1 (0.65) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL6388205 0.90 HSPD1 (0.65) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL13855592 0.88 HSPD1 (0.62) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL14277839 0.87 IGF1R (0.80) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL5124794 0.87 IGF1R (0.80) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL5124788 0.87 IGF1R (0.80) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL3895207 0.84 GSK3B (0.67) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL8338948 0.84 HSPD1 (0.57) HSPD1HSPE1IGF1RINSRGSK3B
SCHEMBL5164183 0.84 GSK3B (0.67) 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 9 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
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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 US 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 (3 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 HSPD1 3762/4885HSPE1 3149/4885IGF1R 610/4885
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.