SCHEMBL5837487

SCHEMBL5837487

COC(=O)c1cc(OC)cc2c1CN(CC1Cc3c(sc(N)c3C(=O)OC(C)(C)C)CN1Cc1ccc(OC)cc1)C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NT5E P21589 1/20 0.33
ADORA1 P30542 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL5772973 0.82 MAPT (0.41) KDM4EMAPTGAAADORA1KMT2A
SCHEMBL5837854 0.81 MAPT (0.38) KDM4EMAPTALDH1A1NT5EADORA1
SCHEMBL7528917 0.80 KDM4E (0.46) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL5837057 0.80 KDM4E (0.46) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL5838328 0.78 KDM4E (0.40) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL5837056 0.77 MAPT (0.35) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL7524872 0.75 MAPT (0.42) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL5837489 0.75 MAPT (0.36) KDM4EMAPTNT5EADORA1KMT2A
SCHEMBL5837595 0.74 KDM4E (0.39) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL7514007 0.73 ADORA1 (0.42) KDM4EMAPTALDH1A1GAAHPGD

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