SCHEMBL649018

SCHEMBL649018

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.52
PTPN2 P17706 7/20 0.34
PTGES2 Q9H7Z7 2/20 0.32
TP53 P04637 2/20 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
MRGPRX1 Q96LB2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12971485 0.94 PTPN1 (0.54) PTPN1PTPN2BRD4MRGPRX1
SCHEMBL648987 0.92 PTPN1 (0.53) PTPN1PTPN2TP53GAAMAPT
SCHEMBL648664 0.91 PTPN1 (0.55) PTPN1PTPN2PTGES2TP53GAA
SCHEMBL645929 0.90 PTPN1 (0.58) PTPN1PTPN2TP53GAAMAPT
SCHEMBL648320 0.89 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL646568 0.89 PTPN1 (0.52) PTPN1PTPN2GAAMAPTHSD17B10
SCHEMBL12971497 0.86 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL648527 0.84 PTPN1 (0.56) PTPN1PTPN2BRD4MRGPRX1
SCHEMBL647690 0.84 PTPN1 (0.58) PTPN1PTPN2TP53MAPTBRD4
SCHEMBL12971426 0.84 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