SCHEMBL5837562

SCHEMBL5837562

CC(C)(C)OC(=O)c1c(N)sc2c1CCN(C(=O)O)C2C(=O)N1Cc2ccccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.37
UCHL1 P09936 2/20 0.36
ADORA1 P30542 7/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR5 P51681 1/20 0.31
NT5E P21589 1/20 0.31
CXCR2 P25025 1/20 0.30

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
SCHEMBL7490599 0.88 ADORA1 (0.39) ADORA1MAPTKEAP1NFE2L2KDM4E
SCHEMBL5838518 0.86 CXCR2 (0.36) UCHL1MAPTKMT2AMEN1KEAP1
SCHEMBL5837464 0.84 ADORA1 (0.35) GRM6ADORA1MAPTKMT2AMEN1
SCHEMBL5771556 0.83 MAPT (0.38) ADORA1MAPTKMT2AMEN1LMNA
SCHEMBL5837716 0.81 GRM6 (0.38) GRM6UCHL1ADORA1MAPTKMT2A
SCHEMBL5838078 0.81 GRM6 (0.36) GRM6UCHL1ADORA1MAPTKMT2A
SCHEMBL5838372 0.75 GRM6 (0.37) GRM6ADORA1MAPTKMT2AMEN1
SCHEMBL5838317 0.75 CXCR2 (0.33) MAPTKMT2AGAANT5ECXCR2
SCHEMBL5837554 0.72 ADORA1 (0.40) GRM6ADORA1MAPTKEAP1NFE2L2
SCHEMBL5838395 0.72 GRM6 (0.36) GRM6ADORA1MAPTKMT2AMEN1

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