SCHEMBL5837548

SCHEMBL5837548

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CO)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.51
MAPT P10636 13/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 11/20 0.37
HPGD P15428 7/20 0.37
GAA P10253 5/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
RAD52 P43351 1/20 0.36
GLA P06280 1/20 0.36
GRM6 O15303 1/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ANO1 Q5XXA6 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
SCHEMBL6049948 1.00 ADORA1 (0.51) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5837553 0.91 ADORA1 (0.46) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5837408 0.83 ADORA1 (0.51) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5838794 0.83 ADORA1 (0.51) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5838020 0.83 ADORA1 (0.49) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL6049995 0.81 ADORA1 (0.43) ADORA1MAPTKDM4EGAAMEN1
SCHEMBL5837710 0.81 ADORA1 (0.43) ADORA1MAPTKDM4EGAAMEN1
SCHEMBL6050008 0.79 ADORA1 (0.41) ADORA1MAPTKDM4EGAAALOX15
SCHEMBL5839237 0.79 ADORA1 (0.41) ADORA1MAPTKDM4EGAAALOX15
SCHEMBL5837958 0.78 ADORA1 (0.48) ADORA1MAPTKDM4EGAAMEN1

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