SCHEMBL648987

SCHEMBL648987

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.53
PTPN2 P17706 10/20 0.33
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
BRD4 O60885 1/20 0.32

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
SCHEMBL12971497 0.94 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL649018 0.92 PTPN1 (0.52) PTPN1PTPN2TP53GAAMAPT
SCHEMBL648664 0.91 PTPN1 (0.55) PTPN1PTPN2TP53GAAMAPT
SCHEMBL645929 0.90 PTPN1 (0.58) PTPN1PTPN2TP53GAAMAPT
SCHEMBL647675 0.90 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL647796 0.90 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL646568 0.90 PTPN1 (0.52) PTPN1PTPN2GAAMAPT
SCHEMBL12971485 0.86 PTPN1 (0.54) PTPN1PTPN2BRD4
SCHEMBL648527 0.85 PTPN1 (0.56) PTPN1PTPN2BRD4
SCHEMBL12971426 0.85 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