SCHEMBL6002238

SCHEMBL6002238

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.40
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ECE1 P42892 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTPN11 Q06124 1/20 0.35
EPHX2 P34913 1/20 0.35
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SERPINE1 P05121 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6001840 0.89 CACNA1B (0.40) CACNA1BMAPK1SMN1; SMN2ECE1PSEN1
SCHEMBL6002268 0.88 MAPK1 (0.38) MAPK1SMN1; SMN2ECE1PTPN11EPHX2
SCHEMBL6002236 0.86 SERPINE1 (0.43) CACNA1BMAPK1SMN1; SMN2ECE1PSEN1
SCHEMBL6001790 0.86 CACNA1B (0.44) CACNA1BMAPK1SMN1; SMN2ECE1PSEN1
SCHEMBL6002292 0.81 SERPINE1 (0.48) ECE1SERPINE1
SCHEMBL6000254 0.81 MEN1 (0.41) CACNA1BSMN1; SMN2ECE1ALDH1A1KDM4E
SCHEMBL6001817 0.80 MAPK1 (0.43) MAPK1SMN1; SMN2PTPN11PTPN1BRPF1
SCHEMBL6002334 0.78 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2ECE1PTPN11EPHX2
SCHEMBL6002233 0.78 ECE1 (0.43) MAPK1SMN1; SMN2ECE1EPHX2ALDH1A1
SCHEMBL6001802 0.73 MAPK1 (0.43) 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