SCHEMBL3895202

SCHEMBL3895202

COc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.67
HSPD1 P10809 1/20 0.57
HSPE1 P61604 1/20 0.57
PIK3CG P48736 6/20 0.55
PIK3CA P42336 1/20 0.55
INSR P06213 2/20 0.53
IGF1R P08069 2/20 0.53
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GSK3A P49840 3/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50

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
SCHEMBL5164183 1.00 GSK3B (0.67) GSK3BHSPD1HSPE1PIK3CGPIK3CA
SCHEMBL3895207 1.00 GSK3B (0.67) GSK3BHSPD1HSPE1PIK3CGPIK3CA
SCHEMBL8338948 0.90 HSPD1 (0.57) GSK3BHSPD1HSPE1PIK3CGPIK3CA
SCHEMBL6388205 0.87 HSPD1 (0.65) GSK3BHSPD1HSPE1PIK3CGINSR
SCHEMBL6388201 0.87 HSPD1 (0.65) GSK3BHSPD1HSPE1PIK3CGINSR
SCHEMBL5145093 0.85 IGF1R (0.60) GSK3BHSPD1HSPE1PIK3CGPIK3CA
SCHEMBL5145090 0.85 IGF1R (0.60) GSK3BHSPD1HSPE1PIK3CGPIK3CA
SCHEMBL3899187 0.85 GSK3B (0.62) GSK3BHSPD1HSPE1PIK3CGPIK3CA
SCHEMBL3899184 0.85 GSK3B (0.62) GSK3BHSPD1HSPE1PIK3CGPIK3CA
SCHEMBL13855592 0.85 HSPD1 (0.62) GSK3BHSPD1HSPE1PIK3CGPIK3CA

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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 US claimed
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 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 (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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 GSK3B 1396/4885HSPD1 1909/4885HSPE1 1668/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 GSK3B 1217/4885HSPD1 2657/4885HSPE1 2257/4885
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION PTPRS, PTPRO, PTPN5 GSK3B 127/4885HSPD1 2623/4885HSPE1 2060/4885

“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.