SCHEMBL4400604

SCHEMBL4400604

COc1ccc(CCN2C(=O)CSC2=S)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 1.00
GSK3A P49840 3/20 0.70
GSK3B P49841 3/20 0.70
MAPK1 P28482 2/20 0.62
OPRK1 P41145 1/20 0.62
RAB9A P51151 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 1/20 0.60
HSP90AA1 P07900 1/20 0.59
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 2/20 0.54
MAPT P10636 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
SCHEMBL4405452 0.87 PAX8 (0.77) PAX8GSK3AGSK3BMAPK1OPRK1
SCHEMBL12204760 0.77 NPSR1 (0.75) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL10195155 0.77 HSP90AA1 (0.67) PAX8MAPK1ALDH1A1KDM4EHSP90AA1
SCHEMBL6987406 0.76 PAX8 (0.60) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL6999642 0.76 PAX8 (0.60) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL6989868 0.76 PAX8 (0.60) PAX8MAPK1OPRK1RAB9ANPSR1
SCHEMBL28467060 0.75 GSK3A (0.76) PAX8GSK3AGSK3BNPSR1ALDH1A1
SCHEMBL3317084 0.75 GSK3A (1.00) PAX8GSK3AGSK3BMAPK1RAB9A
SCHEMBL14678150 0.75 HSP90AA1 (1.00) PAX8GSK3AGSK3BMAPK1NPSR1
SCHEMBL6991542 0.75 PAX8 (0.59) PAX8MAPK1OPRK1RAB9ANPSR1

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
EP-1830848-B1 USE OF THIAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF SOLID TUMORS CELL THERAPEUTICS EUROPE SRL (IT) 2009-12-16 EP disclosed
US-20080261980-A1 Use of Thiazolidinone Derivatives as Antiangiogenic Agents CELL THERAPEUTICS, INC. (US) 2008-10-23 US disclosed
EP-1830848-A1 USE OF THIAZOLIDINONE DERIVATIVES AS ANTIANGIOGENIC AGENTS Cell Therapeutics Europe S.R.L. (IT) 2007-09-12 EP disclosed
WO-2006066846-A1 USE OF THIAZOLIDINONE DERIVATIVES AS ANTIANGIOGENIC AGENTS CELL THERAPEUTICS EUROPE S.R.L. (IT) 2006-06-29 WO disclosed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 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 (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-20080261980-A1 Use of Thiazolidinone Derivatives as Antiangiogenic Agents EP300, HIF1A, HIF1AN PAX8 3684/4885GSK3A 2452/4885GSK3B 2517/4885

“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.