SCHEMBL13855592

SCHEMBL13855592

COc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.62
HSPE1 P61604 1/20 0.62
INSR P06213 3/20 0.58
IGF1R P08069 3/20 0.58
PIK3CG P48736 5/20 0.57
GSK3B P49841 2/20 0.55
GSK3A P49840 1/20 0.55
PDE4B Q07343 4/20 0.55
PDE3A Q14432 3/20 0.55
MAOB P27338 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
NAT1 P18440 1/20 0.50
CA2 P00918 1/20 0.50
PIK3CA P42336 1/20 0.49
DYRK1A Q13627 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6388205 0.91 HSPD1 (0.65) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL6388201 0.91 HSPD1 (0.65) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL3896735 0.88 HSPD1 (0.61) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL3896737 0.88 HSPD1 (0.61) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL3895207 0.85 GSK3B (0.67) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL5164183 0.85 GSK3B (0.67) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL3895202 0.85 GSK3B (0.67) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL8338948 0.85 HSPD1 (0.57) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL3904211 0.83 HSPD1 (0.72) HSPD1HSPE1INSRIGF1RPIK3CG
SCHEMBL3904210 0.83 HSPD1 (0.72) HSPD1HSPE1INSRIGF1RPIK3CG

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 1 patent. 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 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 (1 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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 HSPD1 2657/4885HSPE1 2257/4885INSR 4203/4885

“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.