SCHEMBL5837593

SCHEMBL5837593

COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CNC2=NS(=O)(=O)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 5/20 0.37
MCHR1 Q99705 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NT5E P21589 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL5838516 0.89 KDM4E (0.38) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL5838468 0.84 KDM4E (0.38) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL5771466 0.83 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL5773593 0.81 MAPT (0.40) KDM4EALDH1A1LMNAHPGDMCHR1
SCHEMBL5766921 0.80 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL7520515 0.80 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL5771550 0.80 CASP3 (0.39) KDM4ELMNAMAPTGAAMEN1
SCHEMBL5768831 0.76 CHRM1 (0.41)
SCHEMBL5838298 0.75 KDM4E (0.40) KDM4EALDH1A1LMNARAB9ANPC1
SCHEMBL5838731 0.75 ADORA1 (0.48) KDM4ELMNAMAPTGAAMEN1

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-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
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed