SCHEMBL5838516

SCHEMBL5838516

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.38
NT5E P21589 1/20 0.36
PTPN1 P18031 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPRB P23467 1/20 0.36
MCHR1 Q99705 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR2 P25025 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31

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
SCHEMBL5837593 0.89 KDM4E (0.37) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL5838298 0.85 KDM4E (0.40) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL5772238 0.84 NT5E (0.39) KDM4EALDH1A1HPGDNT5EPTPN1
SCHEMBL5770835 0.83 NT5E (0.41) KDM4ELMNANT5ESMN1; SMN2KMT2A
SCHEMBL5837646 0.79 HPGD (0.42) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL5771236 0.78 CHRM1 (0.39) NT5E
SCHEMBL5838468 0.75 KDM4E (0.38) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL5769422 0.73 PTPN1 (0.37) KDM4ERAB9ANPC1ALDH1A1NT5E
SCHEMBL5771466 0.72 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDNT5E
SCHEMBL5837062 0.71 NT5E (0.37) KDM4ENT5EPTPN1CXCR2

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 3 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