SCHEMBL6002268

SCHEMBL6002268

O=C(O)Cn1c(OC(=O)O)cc2cc(NS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SERPINE1 P05121 1/20 0.37
PTPN1 P18031 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
CCR2 P41597 1/20 0.35
ECE1 P42892 1/20 0.35
CA2 P00918 3/20 0.34
PTPN11 Q06124 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSPD1 P10809 1/20 0.34
HSPE1 P61604 1/20 0.34
CA1 P00915 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL6002238 0.88 CACNA1B (0.40) MAPK1SMN1; SMN2SERPINE1PTPN1ECE1
SCHEMBL6002334 0.88 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2SERPINE1PTPN1PTGDR2
SCHEMBL6002292 0.86 SERPINE1 (0.48) SERPINE1CCR2ECE1
SCHEMBL6001713 0.84 SERPINE1 (0.49) MAPK1SMN1; SMN2SERPINE1CCR2ECE1
SCHEMBL6001802 0.83 MAPK1 (0.43) MAPK1SMN1; SMN2SERPINE1PTPN1PTGDR2
SCHEMBL6001817 0.83 MAPK1 (0.43) MAPK1SMN1; SMN2PTPN1CA2PTPN11
SCHEMBL6002233 0.83 ECE1 (0.43) MAPK1SMN1; SMN2ECE1EPHX2
SCHEMBL6001895 0.79 POLB (0.47) MAPK1SMN1; SMN2SERPINE1ECE1
SCHEMBL6001804 0.79 L3MBTL1 (0.34) PTGDR2L3MBTL1
SCHEMBL6001840 0.76 CACNA1B (0.40) MAPK1SMN1; SMN2ECE1PTPN11EPHX2

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