SCHEMBL5837646

SCHEMBL5837646

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CCNC2CNC1=NS(=O)(=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
PTPN1 P18031 4/20 0.41
PTPN2 P17706 1/20 0.41
PTPRB P23467 1/20 0.41
CXCR2 P25025 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL5838458 0.84 PTPN1 (0.55) HPGDKDM4ERAB9AALDH1A1LMNA
SCHEMBL5837812 0.83 HPGD (0.45) HPGDKDM4ERAB9AALDH1A1LMNA
SCHEMBL5770445 0.80 PTPN1 (0.42) HPGDKDM4EALDH1A1HTTPTPN1
SCHEMBL5769823 0.80 PTPN1 (0.46) KDM4EPTPN1CXCR2
SCHEMBL5838516 0.79 KDM4E (0.38) HPGDKDM4ERAB9AALDH1A1LMNA
SCHEMBL5838298 0.74 KDM4E (0.40) HPGDKDM4ERAB9AALDH1A1LMNA
SCHEMBL5769066 0.72 PTPN1 (0.39) ALDH1A1LMNAPTPN1CXCR2NPSR1
SCHEMBL5837579 0.66 PTPN1 (0.53) HPGDKDM4ERAB9AALDH1A1LMNA
SCHEMBL5837572 0.66 PTPN1 (0.53) HPGDKDM4ERAB9AALDH1A1LMNA
SCHEMBL5837593 0.66 KDM4E (0.37) HPGDKDM4ERAB9AALDH1A1LMNA

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