SCHEMBL5837554

SCHEMBL5837554

CC(C)(C)OC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.40
KEAP1 Q14145 13/20 0.40
NFE2L2 Q16236 2/20 0.39
GRM6 O15303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5837455 0.87 GHSR (0.38) ADORA1KEAP1NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL5837175 0.86 TPSAB1 (0.39) ADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5768500 0.84 GRM6 (0.37) ADORA1KEAP1NFE2L2GRM6MAPT
SCHEMBL5769847 0.84 GRM6 (0.37) ADORA1KEAP1NFE2L2GRM6MAPT
SCHEMBL5768503 0.84 GRM6 (0.37) ADORA1KEAP1NFE2L2GRM6MAPT
SCHEMBL5771550 0.82 CASP3 (0.39) ADORA1KDM4EMAPT
SCHEMBL5838074 0.80 GRM6 (0.39) ADORA1GRM6KDM4EMAPTALDH1A1
SCHEMBL5837710 0.79 ADORA1 (0.43) ADORA1GRM6KDM4EMAPT
SCHEMBL6049995 0.79 ADORA1 (0.43) ADORA1GRM6KDM4EMAPT
SCHEMBL7490590 0.79 KEAP1 (0.45) ADORA1KEAP1NFE2L2ALDH1A1NPSR1

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