SCHEMBL5837693

SCHEMBL5837693

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)O)c3C(=O)O)C2CNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TNF P01375 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
PTPN1 P18031 4/20 0.44
GLO1 Q04760 1/20 0.44
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
PTPN2 P17706 3/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
TP53 P04637 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5837772 0.93 PTPN1 (0.47) KMT2AHSD17B10PTPN1GLO1MAPT
SCHEMBL5837796 0.93 PTPN1 (0.46) KMT2AHSD17B10PTPN1GLO1PKM
SCHEMBL7535029 0.86 GAA (0.42) KMT2AHSD17B10TNFNOD2NOD1
SCHEMBL5837651 0.85 DRD4 (0.46) PTPN1MAPTPTPN2ALDH1A1
SCHEMBL5837592 0.83 PTPN1 (0.50) KMT2APTPN1MAPTPTPN2RAB9A
SCHEMBL5838423 0.83 MEN1 (0.44) KMT2APTPN1PTPN2TP53
SCHEMBL7522308 0.83 GLO1 (0.46) KMT2AHSD17B10TNFNOD2NOD1
SCHEMBL5837558 0.83 PTPN1 (0.42) KMT2APTPN1GLO1PTPN2ALDH1A1
SCHEMBL5770835 0.82 NT5E (0.41) KMT2AHSD17B10TNFNOD2NOD1
SCHEMBL5838068 0.81 PTPN1 (0.43) HSD17B10PTPN1GLO1MAPTPTPN2

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 9 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 claimed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP claimed
WO-2001019830-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
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