SCHEMBL646568

SCHEMBL646568

CCCS(=O)(=O)Nc1ccc(OC)cc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.52
PTPN2 P17706 3/20 0.41
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PIK3CG P48736 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12971506 0.94 PTPN1 (0.54) PTPN1PTPN2MAPTHSD17B10
SCHEMBL648987 0.90 PTPN1 (0.53) PTPN1PTPN2GAAMAPT
SCHEMBL646967 0.90 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL649018 0.89 PTPN1 (0.52) PTPN1PTPN2GAAMAPTHSD17B10
SCHEMBL648664 0.88 PTPN1 (0.55) PTPN1PTPN2GAAMAPT
SCHEMBL645929 0.87 PTPN1 (0.58) PTPN1PTPN2GAAMAPT
SCHEMBL12971497 0.84 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL12971485 0.83 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL648527 0.82 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL12971426 0.82 PTPN1 (0.53) PTPN1PTPN2

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
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP claimed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US claimed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed