SCHEMBL5843333

SCHEMBL5843333

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2Cn1c(=O)c2ccccc2[s+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.49
PTPN2 P17706 12/20 0.49
PTPRB P23467 3/20 0.49
PTPRC P08575 2/20 0.38
PTPRE P23469 2/20 0.38
PTPRA P18433 2/20 0.36
PTPN6 P29350 1/20 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
SCHEMBL5837532 0.82 PTPN1 (0.51) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837019 0.80 PTPN1 (0.42) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL6208795 0.79 PTPN1 (0.59) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838411 0.75 PTPN1 (0.57) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838480 0.74 PTPN1 (0.62) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837036 0.73 PTPN1 (0.55) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838673 0.73 PTPN1 (0.53) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838028 0.73 PTPN1 (0.63) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5840732 0.73
SCHEMBL5838663 0.72 PTPN1 (0.47) PTPN1PTPN2PTPRBPTPRCPTPRE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO claimed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed