SCHEMBL5838533

SCHEMBL5838533

COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2CNC(=O)Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MCHR1 Q99705 3/20 0.41
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
BMP1 P13497 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5838160 0.89 ALDH1A1 (0.43) ALDH1A1MCHR1POLBL3MBTL1USP2
SCHEMBL5838311 0.81 AKR1C2 (0.39) ALDH1A1KDM4EMAPT
SCHEMBL7524872 0.81 MAPT (0.42) ALDH1A1MCHR1KDM4EMAPTLMNA
SCHEMBL5838333 0.80 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1MAPK1TP53
SCHEMBL5837057 0.80 KDM4E (0.46) ALDH1A1POLBL3MBTL1USP2MAPK1
SCHEMBL7528917 0.80 KDM4E (0.46) ALDH1A1POLBUSP2MAPK1KDM4E
SCHEMBL7517807 0.77 KDM4E (0.38) MCHR1THRBKDM4EMAPTLMNA
SCHEMBL5837595 0.77 KDM4E (0.39) ALDH1A1MCHR1USP2MAPK1KDM4E
SCHEMBL7523468 0.76 NT5E (0.37) ALDH1A1POLBL3MBTL1MAPK1RECQL
SCHEMBL5838322 0.75 MAPT (0.37) ALDH1A1TP53KDM4EMAPTLMNA

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