SCHEMBL4955388

SCHEMBL4955388

COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 1.00
PTPN1 P18031 1/20 1.00
MEN1 O00255 12/20 0.83
KMT2A Q03164 12/20 0.83
MAPT P10636 8/20 0.83
POLB P06746 8/20 0.83
ALDH1A1 P00352 7/20 0.83
DUSP3 P51452 4/20 0.83
CACNA1B Q00975 2/20 0.83
APBA1 Q02410 2/20 0.83
APAF1 O14727 1/20 0.83
PKM P14618 1/20 0.83
AGTR1 P30556 1/20 0.83
EIF4H Q15056 1/20 0.83
L3MBTL1 Q9Y468 5/20 0.69
MCL1 Q07820 3/20 0.69
TDP1 Q9NUW8 4/20 0.64
RECQL P46063 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL4955393 1.00 PTPN2 (1.00) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL2837896 0.90 PTPN2 (0.81) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL2837903 0.90 PTPN2 (0.81) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL2837901 0.90 PTPN2 (0.81) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL1421364 0.85 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL3761481 0.85 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL1421366 0.85 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL29525393 0.85 PTPN2 (0.74) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL5993845 0.83 PTPN2 (0.71) PTPN2PTPN1MEN1KMT2AMAPT
SCHEMBL12315854 0.82 MEN1 (0.72) PTPN2PTPN1MEN1KMT2AMAPT

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
WO-2008043181-A1 AUGMENTING STEM CELL POPULATIONS BY MODULATING T-CELL PROTEIN TYROSINE PHOSPHATASE (TC-PTP) MCGILL UNIVERSITY (CA) 2008-04-17 WO claimed
WO-2008043181-A1 AUGMENTING STEM CELL POPULATIONS BY MODULATING T-CELL PROTEIN TYROSINE PHOSPHATASE (TC-PTP) MCGILL UNIVERSITY (CA) 2008-04-17 WO disclosed
WO-2008043181-A1 AUGMENTING STEM CELL POPULATIONS BY MODULATING T-CELL PROTEIN TYROSINE PHOSPHATASE (TC-PTP) MCGILL UNIVERSITY (CA) 2008-04-17 WO disclosed
US-20060070135-A1 Compositions and methods for inhibiting the enzymatic activity of PTP-1B TREMBLAY MICHEL 2006-03-30 US disclosed