SCHEMBL5837588

SCHEMBL5837588

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2CN1Cc2cccnc2C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.54
PTPN2 P17706 14/20 0.54
PTPRB P23467 2/20 0.54
PTPRA P18433 1/20 0.39
PTPRC P08575 1/20 0.38
PTPRE P23469 1/20 0.38

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
SCHEMBL5843149 0.79 PTPN1 (0.55) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5838411 0.78 PTPN1 (0.57) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL6208795 0.76 PTPN1 (0.59) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5838480 0.75 PTPN1 (0.62) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837532 0.74 PTPN1 (0.51) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5837036 0.74 PTPN1 (0.55) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5837671 0.74 PTPN1 (0.49) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5837494 0.73 PTPN1 (0.49) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5837045 0.71 PTPN1 (0.52) PTPN1PTPN2PTPRBPTPRAPTPRC
SCHEMBL5838663 0.71 PTPN1 (0.47) PTPN1PTPN2PTPRBPTPRAPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed