SCHEMBL5837754

SCHEMBL5837754

COc1ccc(CN2Cc3sc(NC(=O)C(=O)OC(C)(C)C)c(C(=O)OC(C)(C)C)c3CC2CNC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NT5E P21589 1/20 0.35
HDAC1 Q13547 7/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPARA Q07869 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PLA2G2A P14555 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7550192 0.95 AKR1C2 (0.38) AKR1C2MTNR1AMTNR1BHDAC1MEN1
SCHEMBL5838311 0.90 AKR1C2 (0.39) AKR1C2MTNR1AMTNR1BHDAC1MAPT
SCHEMBL5837745 0.88 PTPN1 (0.44) AKR1C2MTNR1AMTNR1BHDAC1MEN1
SCHEMBL5838160 0.82 ALDH1A1 (0.43) NT5EMEN1MAPTKMT2AKDM4E
SCHEMBL7521561 0.80 NT5E (0.43) NT5EMEN1MAPTKMT2ATDP1
SCHEMBL7555860 0.79 AKR1C2 (0.37) AKR1C2MTNR1AMTNR1BHDAC1MEN1
SCHEMBL7520923 0.77 THRB (0.40) NT5EMEN1MAPTKMT2APTPN1
SCHEMBL7519646 0.76 NT5E (0.42) NT5EMEN1KMT2ATDP1PTPN1
SCHEMBL5838298 0.73 KDM4E (0.40) NT5EMAPTHTTTDP1PTPN1
SCHEMBL5837927 0.72 NT5E (0.40) NT5ETDP1PTPN1KDM4ELMNA

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