SCHEMBL645930

SCHEMBL645930

CCC(c1ccc(C(N)=O)c(Cc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.50
PTPN2 P17706 3/20 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
SCHEMBL648528 0.94 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL647691 0.87 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL2937436 0.84 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL2935548 0.82 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL3076419 0.81 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL2933409 0.81 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL2937682 0.80 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL2937386 0.80 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL2936009 0.73 PTPN1 (0.60) PTPN1PTPN2
SCHEMBL2937823 0.73 PTPN1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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