SCHEMBL7213100

SCHEMBL7213100

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
GAA P10253 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
AKR1C2 P52895 1/20 0.53
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
HTR1F P30939 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PRNP P04156 1/20 0.38

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
SCHEMBL7214330 0.86 KDM4E (0.56) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7213103 0.86 KDM4E (0.41) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7207808 0.85 HTR1F (0.42) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7213112 0.82 ANO1 (0.47) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7208174 0.82 PPARA (0.47) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL6291091 0.79 KDM4E (0.68) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL3576041 0.78 KDM4E (0.66) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL7208144 0.76 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL4204905 0.75 KDM4E (0.69) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL3408821 0.74 KDM4E (0.73) KDM4EGAAALDH1A1MAPTMEN1

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