SCHEMBL5837019

SCHEMBL5837019

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC(Cn1c(=O)c3ccccc3[s+]1[O-])OC2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.42
RAB7A P51149 2/20 0.42
PTPN2 P17706 10/20 0.40
PTPRC P08575 2/20 0.40
PTPRB P23467 2/20 0.40
PTPRE P23469 2/20 0.40
PTPRA P18433 2/20 0.38
PTPN6 P29350 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
SCHEMBL5843333 0.80 PTPN1 (0.49) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6207147 0.79 PTPN1 (0.51) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6205853 0.78 PTPN1 (0.44) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL5838812 0.76 PTPN1 (0.46) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6207812 0.75 PTPN1 (0.47) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6322684 0.75 PTPN1 (0.46) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL7676326 0.74 PTPN1 (0.49) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6314433 0.74 PTPN1 (0.46) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6314421 0.74 PTPN1 (0.54) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6323723 0.74 PTPN1 (0.46) PTPN1RAB7APTPN2PTPRCPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US claimed
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-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
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