SCHEMBL5837185

SCHEMBL5837185

COC(=O)c1cc(OC)cc2c1CN(C(=O)C1Cc3c(sc(NC(=O)C(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)CN1Cc1ccc(OC)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.38
HDAC8 Q9BY41 2/20 0.33
THRB P10828 1/20 0.33
PTPN1 P18031 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CXCR2 P25025 3/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL5838328 0.89 KDM4E (0.40) NT5EHDAC8MAPTKDM4EALDH1A1
SCHEMBL5837805 0.88 NT5E (0.41) NT5EHDAC8THRBPTPN1PPARA
SCHEMBL5838260 0.85 NT5E (0.38) NT5EHDAC8THRBPTPN1PPARA
SCHEMBL5836747 0.84 NT5E (0.38) NT5EHDAC8THRBPTPN1PPARA
SCHEMBL5838482 0.81 THRB (0.34) NT5ETHRBMAPTPOLBTDP1
SCHEMBL5837094 0.80 NT5E (0.40) NT5EHDAC8PTPN1MAPTCXCR2
SCHEMBL5837857 0.75 MAPT (0.41) NT5EMAPTKDM4E
SCHEMBL7521561 0.74 NT5E (0.43) NT5ETHRBPTPN1PPARAMAPT
SCHEMBL7520923 0.74 THRB (0.40) NT5ETHRBPTPN1MAPTCXCR2
SCHEMBL5838415 0.72 KDM4E (0.38) NT5EHDAC8MAPTKDM4EALDH1A1

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