SCHEMBL5843149

SCHEMBL5843149

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2CN1C(=O)c2cccnc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.55
PTPN2 P17706 7/20 0.55
PTPRB P23467 2/20 0.55
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPRC P08575 1/20 0.38
PTPRE P23469 1/20 0.38
PTPRA P18433 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HCRTR1 O43613 1/20 0.35

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
SCHEMBL6208795 0.90 PTPN1 (0.59) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837045 0.84 PTPN1 (0.52) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837077 0.80 PTPN1 (0.48) PTPN1PTPN2PTPRBKDM4ETP53
SCHEMBL5837083 0.79 PTPN1 (0.49) PTPN1PTPN2PTPRBKDM4EPTPRC
SCHEMBL5837588 0.79 PTPN1 (0.54) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5837494 0.79 PTPN1 (0.49) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838411 0.79 PTPN1 (0.57) PTPN1PTPN2PTPRBKDM4ESMN1; SMN2
SCHEMBL5837671 0.78 PTPN1 (0.49) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838480 0.77 PTPN1 (0.62) PTPN1PTPN2PTPRBTP53SMN1; SMN2
SCHEMBL5838028 0.77 PTPN1 (0.63) 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 5 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-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