SCHEMBL7213103

SCHEMBL7213103

Cc1[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc2c1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C2 P52895 1/20 0.41
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.38
HTR1F P30939 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PRNP P04156 1/20 0.37
PTPN11 Q06124 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37

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
SCHEMBL7208144 0.88 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL7637344 0.86 NQO2 (0.43) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL7213100 0.86 KDM4E (0.57) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL7207808 0.79 HTR1F (0.42) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL17369561 0.78 KDM4E (0.66) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL7636101 0.76 KDM4E (0.49) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL7213112 0.76 ANO1 (0.47) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL7208174 0.76 PPARA (0.47) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL5731866 0.76 MMP2 (0.55) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL31676640 0.75 AKR1C2 (0.70) KDM4EALDH1A1GAAMAPTMEN1

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
JP-2003508382-A 2003-03-04 JP claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO disclosed