SCHEMBL6388205

SCHEMBL6388205

COc1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.65
HSPE1 P61604 1/20 0.65
PDE4B Q07343 4/20 0.63
PDE3A Q14432 3/20 0.63
INSR P06213 3/20 0.60
IGF1R P08069 3/20 0.60
PIK3CG P48736 3/20 0.59
GSK3B P49841 2/20 0.56
DYRK1A Q13627 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CLK1 P49759 1/20 0.53
CLK2 P49760 1/20 0.53
CLK3 P49761 1/20 0.53
MELK Q14680 1/20 0.53
NAT1 P18440 1/20 0.52

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
SCHEMBL6388201 1.00 HSPD1 (0.65) HSPD1HSPE1PDE4BPDE3AINSR
SCHEMBL13855592 0.91 HSPD1 (0.62) HSPD1HSPE1PDE4BPDE3AINSR
SCHEMBL3896735 0.90 HSPD1 (0.61) HSPD1HSPE1PDE4BPDE3AINSR
SCHEMBL3896737 0.90 HSPD1 (0.61) HSPD1HSPE1PDE4BPDE3AINSR
SCHEMBL1082925 0.90 PIK3CG (0.71) PDE4BINSRIGF1RPIK3CGMEN1
SCHEMBL1082924 0.90 PIK3CG (0.71) PDE4BINSRIGF1RPIK3CGMEN1
SCHEMBL3895207 0.87 GSK3B (0.67) HSPD1HSPE1PDE4BPDE3AINSR
SCHEMBL8338948 0.87 HSPD1 (0.57) HSPD1HSPE1PDE4BPDE3AINSR
SCHEMBL5164183 0.87 GSK3B (0.67) HSPD1HSPE1PDE4BPDE3AINSR
SCHEMBL3895202 0.87 GSK3B (0.67) HSPD1HSPE1PDE4BPDE3AINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 US disclosed
US-20040009526-A1 Common ligand mimics: thiazolidinediones and rhodanines YU LIN (US) 2004-01-15 US disclosed
WO-2003072033-A2 COMMON LIGAND MIMICS: THIAZOLIDINEDIONES AND RHODANINES TRIAD THERAPEUTICS, INC. (US) 2003-09-04 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-20040009526-A1 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 HSPD1 1453/4885HSPE1 1483/4885PDE4B 3419/4885
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 HSPD1 1453/4885HSPE1 1483/4885PDE4B 3419/4885

“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.