SCHEMBL6002334

SCHEMBL6002334

CCOC(=O)Oc1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2n1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
AKR1B1 P15121 1/20 0.38
ECE1 P42892 1/20 0.35
BRPF1 P55201 1/20 0.35
SERPINE1 P05121 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
PTPN1 P18031 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
SMARCA2 P51531 1/20 0.33

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) SMN1; SMN2MAPK1ECE1BRPF1ALDH1A1
SCHEMBL6002268 0.88 MAPK1 (0.38) SMN1; SMN2MAPK1PTGDR2ECE1SERPINE1
SCHEMBL6001987 0.86 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1BRPF1ALDH1A1MMP2
SCHEMBL6001895 0.84 POLB (0.47) SMN1; SMN2MAPK1ECE1SERPINE1ALDH1A1
SCHEMBL6002337 0.83 ECE1 (0.41) SMN1; SMN2MAPK1ECE1BRPF1ALDH1A1
SCHEMBL6001802 0.82 MAPK1 (0.43) SMN1; SMN2MAPK1PTGDR2AKR1B1ECE1
SCHEMBL6001985 0.81 PTGDR2 (0.36) SMN1; SMN2PTGDR2AKR1B1ALDH1A1MEN1
SCHEMBL6001713 0.79 SERPINE1 (0.49) SMN1; SMN2MAPK1ECE1SERPINE1
SCHEMBL6002238 0.78 CACNA1B (0.40) SMN1; SMN2MAPK1ECE1BRPF1SERPINE1
SCHEMBL6002292 0.75 SERPINE1 (0.48) ECE1SERPINE1

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