SCHEMBL5837796

SCHEMBL5837796

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.46
PTPN2 P17706 6/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GLO1 Q04760 1/20 0.43
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38

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 0.94 PTPN1 (0.47) PTPN1PTPN2GLO1SMN1; SMN2OPRM1
SCHEMBL5837693 0.93 KMT2A (0.46) PTPN1PTPN2NPC1RAB9AGLO1
SCHEMBL7736217 0.88 PTPN1 (0.43) PTPN1PTPN2POLBSMN1; SMN2HDAC1
SCHEMBL5837651 0.86 DRD4 (0.46) PTPN1PTPN2ALDH1A1
SCHEMBL7539805 0.85 NPC1 (0.42) NPC1RAB9AGLO1SMN1; SMN2OPRM1
SCHEMBL5838423 0.84 MEN1 (0.44) PTPN1PTPN2SMN1; SMN2KMT2AMEN1
SCHEMBL5837592 0.84 PTPN1 (0.50) PTPN1PTPN2NPC1RAB9AKMT2A
SCHEMBL5837558 0.84 PTPN1 (0.42) PTPN1PTPN2GLO1HDAC1KMT2A
SCHEMBL7525127 0.82 PTPN1 (0.47) PTPN1PTPN2NPC1RAB9AGLO1
SCHEMBL5837940 0.82 PTPN1 (0.54) PTPN1PTPN2NPC1RAB9AHDAC6

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