SCHEMBL7255342

SCHEMBL7255342

COCC(Oc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(OC(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.65
PTPN1 P18031 1/20 0.65
ADAMTS5 Q9UNA0 1/20 0.64

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
SCHEMBL7260135 1.00 AKR1B1 (0.65) AKR1B1PTPN1ADAMTS5
SCHEMBL7255650 0.94
SCHEMBL7255386 0.91 ADAMTS5 (0.66) AKR1B1PTPN1ADAMTS5
SCHEMBL7259941 0.91 ADAMTS5 (0.66) AKR1B1PTPN1ADAMTS5
SCHEMBL7255441 0.91 ADAMTS5 (0.66) AKR1B1PTPN1ADAMTS5
SCHEMBL7260045 0.91 ADAMTS5 (0.66) AKR1B1PTPN1ADAMTS5
SCHEMBL7255382 0.91 ADAMTS5 (0.66) AKR1B1PTPN1ADAMTS5
SCHEMBL5213971 0.88 ADAMTS5 (0.82) AKR1B1PTPN1ADAMTS5
SCHEMBL5213973 0.88 ADAMTS5 (0.82) AKR1B1PTPN1ADAMTS5
SCHEMBL7255340 0.87 AKR1B1 (0.68) AKR1B1PTPN1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003070239-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO claimed
WO-2003070239-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-08-28 WO disclosed