SCHEMBL647690

SCHEMBL647690

CCCS(=O)(=O)Nc1c(C)cccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.58
PTPN2 P17706 6/20 0.39
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
BRD4 O60885 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
SCHEMBL12971493 0.94 PTPN1 (0.61) PTPN1PTPN2TP53POLBMAPT
SCHEMBL649399 0.89 PTPN1 (0.64) PTPN1PTPN2TP53POLB
SCHEMBL645929 0.88 PTPN1 (0.58) PTPN1PTPN2TP53MAPTBRD4
SCHEMBL649018 0.84 PTPN1 (0.52) PTPN1PTPN2TP53MAPTBRD4
SCHEMBL12971487 0.84 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL648987 0.83 PTPN1 (0.53) PTPN1PTPN2TP53MAPTBRD4
SCHEMBL648527 0.83 PTPN1 (0.56) PTPN1PTPN2BRD4
SCHEMBL12971423 0.83 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL648664 0.82 PTPN1 (0.55) PTPN1PTPN2TP53MAPTBRD4
SCHEMBL12971498 0.81 PTPN1 (0.60) 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