SCHEMBL5837408

SCHEMBL5837408

CC(C)(C)OC(=O)c1c(N)sc2c1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.51
MAPT P10636 9/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 7/20 0.39
RAD52 P43351 1/20 0.39
GRM6 O15303 1/20 0.39
HPGD P15428 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 4/20 0.35
HSD17B10 Q99714 4/20 0.35
GAA P10253 3/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
SCN4A P35499 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL5838794 1.00 ADORA1 (0.51) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL5838020 0.91 ADORA1 (0.49) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL5838302 0.84 HDAC8 (0.49) ADORA1MAPTKDM4EGRM6
SCHEMBL5838237 0.84 ADORA1 (0.46) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL6049948 0.83 ADORA1 (0.51) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL5837548 0.83 ADORA1 (0.51) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL5837389 0.80 ADORA1 (0.40) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5837386 0.80 ADORA1 (0.40) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5837553 0.78 ADORA1 (0.46) ADORA1MAPTKDM4EALDH1A1RAD52
SCHEMBL5839242 0.77 GRM6 (0.43) ADORA1MAPTKDM4EALDH1A1RAD52

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