SCHEMBL7209200

SCHEMBL7209200

CC(C)(C)C(Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1)Oc1ccc(NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.63
PTPN11 Q06124 1/20 0.57
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA2 P00918 6/20 0.49
CA1 P00915 3/20 0.44
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
KIF11 P52732 1/20 0.41
ATM Q13315 1/20 0.39
PPARA Q07869 1/20 0.38
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL7208188 0.80 PTPN1 (0.61) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL15116359 0.78 PTPN1 (0.73) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL6000327 0.78 PTPN1 (1.00) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL6001787 0.78 PTPN1 (1.00) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL7213061 0.78 PTPN1 (0.58) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL6000296 0.75 PTPN1 (0.63) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL6428635 0.75 PTPN1 (0.73) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL7526843 0.74 PTPN1 (0.67) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL7529670 0.74 PTPN1 (0.67) PTPN1PTPN11MAPK1SMN1; SMN2CA2
SCHEMBL15116360 0.73 PTPN1 (0.65) PTPN1PTPN11MAPK1SMN1; SMN2CA2

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
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