SCHEMBL5837632

SCHEMBL5837632

CC(C)(C)OC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)[C@@H]2C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.48
MAPT P10636 9/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 8/20 0.36
HPGD P15428 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAP4K4 O95819 1/20 0.36
RAD52 P43351 1/20 0.36
GLA P06280 1/20 0.36
GRM6 O15303 1/20 0.36
GAA P10253 4/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL5837103 0.82 ADORA1 (0.42) ADORA1MAPTKDM4EGRM6
SCHEMBL29839803 0.81 ADORA1 (0.61) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL27077173 0.81 ADORA1 (0.61) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5837554 0.74 ADORA1 (0.40) ADORA1MAPTKDM4EALDH1A1GRM6
SCHEMBL5838020 0.74 ADORA1 (0.49) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL7519817 0.71 ADORA1 (0.42) ADORA1MAPTALDH1A1HPGDMEN1
SCHEMBL21605400 0.70 MAPT (0.44) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL21605366 0.70 MAPT (0.44) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL21605468 0.70 MAPT (0.44) ADORA1MAPTKDM4EALDH1A1HPGD
SCHEMBL5837562 0.70 GRM6 (0.37) ADORA1MAPTKDM4EMEN1KMT2A

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 3 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