SCHEMBL6002232

SCHEMBL6002232

O=C(O)Oc1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
CA2 P00918 4/20 0.38
PTPN11 Q06124 1/20 0.38
CA1 P00915 2/20 0.37
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
MAPT P10636 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
SCHEMBL6001777 0.86 SMN1; SMN2 (0.42) MAPK1SMN1; SMN2PTPN1MMP2MMP13
SCHEMBL6001666 0.81 KDM4E (0.52) MAPK1SMN1; SMN2PTPN1MMP2MMP13
SCHEMBL6001795 0.75 TP53 (0.59) SMN1; SMN2
SCHEMBL6001740 0.74 MMP13 (0.75) MAPK1SMN1; SMN2MMP2MMP13MAPT
SCHEMBL6001978 0.73 NHERF1 (0.66) MAPK1SMN1; SMN2
SCHEMBL3414863 0.72 KDM4E (0.58) MAPT
SCHEMBL3412727 0.72 F7 (0.58) SMN1; SMN2MAPT
SCHEMBL3268308 0.72 KDM4E (0.56) MAPT
SCHEMBL6001817 0.71 MAPK1 (0.43) MAPK1SMN1; SMN2PTPN1CA2PTPN11
SCHEMBL5155719 0.70 SMAD3 (0.57) CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed