SCHEMBL5838565

SCHEMBL5838565

CCOC(=O)N1Cc2sc(N)c(C(=O)OC(C)(C)C)c2CC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.47
MAPT P10636 7/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 5/20 0.41
POLB P06746 1/20 0.41
GRM6 O15303 2/20 0.38
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5837710 0.94 ADORA1 (0.43) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL6049995 0.94 ADORA1 (0.43) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL6050008 0.82 ADORA1 (0.41) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5839237 0.82 ADORA1 (0.41) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5838602 0.82 ADORA1 (0.36) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL7211157 0.81 POLB (0.45) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5770553 0.81 ADORA1 (0.38) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5771598 0.81 ADORA1 (0.38) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL5770549 0.81 ADORA1 (0.38) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL7211154 0.81 ADORA1 (0.38) ADORA1MAPTMEN1KMT2ALMNA

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