SCHEMBL7336277

SCHEMBL7336277

COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
POLB P06746 3/20 0.41
MAPT P10636 9/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
EDNRA P25101 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7334097 0.88 HSD11B1 (0.49) HSD11B1POLBMAPTALDH1A1L3MBTL1
SCHEMBL7827530 0.87 HSD11B1 (0.43) HSD11B1POLBMAPTALDH1A1L3MBTL1
SCHEMBL7339659 0.86 HSD11B1 (0.54) HSD11B1POLBMAPTTP53SMN1; SMN2
SCHEMBL7337057 0.83 POLB (0.44) HSD11B1POLBALDH1A1L3MBTL1HTT
SCHEMBL7342790 0.83 HSD11B1 (0.58) HSD11B1POLBMAPT
SCHEMBL7341323 0.83 HSD11B1 (0.49) HSD11B1POLBMAPTALDH1A1L3MBTL1
SCHEMBL7334114 0.83 HSD11B1 (0.46) HSD11B1MAPTALDH1A1L3MBTL1TP53
SCHEMBL7342900 0.80 ALDH1A1 (0.40) HSD11B1POLBMAPTALDH1A1L3MBTL1
SCHEMBL7343148 0.80 HSD11B1 (0.44) HSD11B1MAPTALDH1A1L3MBTL1TP53
SCHEMBL7335669 0.79 HSD11B1 (0.54) HSD11B1POLBMAPTALDH1A1TP53

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
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed