SCHEMBL648664

SCHEMBL648664

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.55
PTGES2 Q9H7Z7 5/20 0.33
PTPN2 P17706 3/20 0.32
BRD4 O60885 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
RIPK2 O43353 2/20 0.31
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 0.31
KDR P35968 2/20 0.31
MAP2K2 P36507 2/20 0.31
TGFBR2 P37173 2/20 0.31
NEK2 P51955 2/20 0.31
MAP2K1 Q02750 2/20 0.31
TNK2 Q07912 2/20 0.31
MAP2K5 Q13163 2/20 0.31

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
SCHEMBL648987 0.91 PTPN1 (0.53) PTPN1PTPN2BRD4TP53GAA
SCHEMBL649018 0.91 PTPN1 (0.52) PTPN1PTGES2PTPN2BRD4TP53
SCHEMBL646001 0.90 PTPN1 (0.61) PTPN1PTPN2PTGS2
SCHEMBL645929 0.89 PTPN1 (0.58) PTPN1PTPN2BRD4TP53GAA
SCHEMBL646568 0.88 PTPN1 (0.52) PTPN1PTPN2GAAMAPT
SCHEMBL649552 0.87 PTPN1 (0.56) PTPN1PTPN2GAA
SCHEMBL12971497 0.85 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL12971485 0.84 PTPN1 (0.54) PTPN1PTPN2BRD4
SCHEMBL648527 0.84 PTPN1 (0.56) PTPN1PTPN2BRD4BRAF
SCHEMBL12971426 0.83 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