SCHEMBL648527

SCHEMBL648527

CCCCS(=O)(=O)Nc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.56
PGAM1 P18669 1/20 0.38
PTPN2 P17706 1/20 0.36
PARP14 Q460N5 1/20 0.35
BRD4 O60885 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
BRAF P15056 2/20 0.34

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
SCHEMBL645929 0.95 PTPN1 (0.58) PTPN1PGAM1PTPN2PARP14BRD4
SCHEMBL12971498 0.92 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL647629 0.87 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL646413 0.87 PTPN1 (0.56) PTPN1PGAM1PTPN2PARP14
SCHEMBL646154 0.86 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL648987 0.85 PTPN1 (0.53) PTPN1PTPN2BRD4
SCHEMBL649018 0.84 PTPN1 (0.52) PTPN1PTPN2BRD4MRGPRX1
SCHEMBL647122 0.84 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL648664 0.84 PTPN1 (0.55) PTPN1PTPN2BRD4BRAF
SCHEMBL646019 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