SCHEMBL5838722

SCHEMBL5838722

COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 7/20 0.49
GABRD O14764 7/20 0.49
GABRA1 P14867 7/20 0.49
GABRB1 P18505 7/20 0.49
GABRG2 P18507 7/20 0.49
GABRB3 P28472 7/20 0.49
GABRA5 P31644 7/20 0.49
GABRA3 P34903 7/20 0.49
GABRA2 P47869 7/20 0.49
GABRB2 P47870 7/20 0.49
GABRA4 P48169 7/20 0.49
GABRE P78334 7/20 0.49
GABRA6 Q16445 7/20 0.49
GABRG1 Q8N1C3 7/20 0.49
GABRG3 Q99928 7/20 0.49
GABRQ Q9UN88 7/20 0.49
TP53 P04637 1/20 0.44
ALOX5 P09917 1/20 0.41
IGF1R P08069 2/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL7524872 0.82 MAPT (0.42) MAPTMEN1KMT2A
SCHEMBL7528917 0.78 KDM4E (0.46) MAPTMEN1POLBKMT2A
SCHEMBL5837057 0.78 KDM4E (0.46) MAPTMEN1POLBKMT2A
SCHEMBL7523468 0.78 NT5E (0.37) MAPTMEN1POLBKMT2A
SCHEMBL5837595 0.77 KDM4E (0.39) MAPTMEN1KMT2A
SCHEMBL5838311 0.77 AKR1C2 (0.39) MAPT
SCHEMBL5838322 0.76 MAPT (0.37) TP53ALOX5MAPTMEN1KMT2A
SCHEMBL7517807 0.75 KDM4E (0.38) MAPT
SCHEMBL5772973 0.75 MAPT (0.41) MAPTMEN1KMT2A
SCHEMBL5838533 0.74 ALDH1A1 (0.46) TP53MAPTPOLB

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