SCHEMBL8516196

SCHEMBL8516196

Nc1ccccc1S(=O)(=O)[C@@H]1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CA9 Q16790 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CYP2C9 P11712 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
RIPK1 Q13546 1/20 0.40
HTR6 P50406 1/20 0.40
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39
PIK3CA P42336 9/20 0.37
AKT1 P31749 5/20 0.37
MTOR P42345 4/20 0.37

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
SCHEMBL7641333 1.00 GAA (0.44) GAACA9CA12CA1CA2
SCHEMBL31251140 0.81 GAA (0.56) GAACA9CA12CA1CA2
SCHEMBL13380519 0.81 GAA (0.56) GAACA9CA12CA1CA2
SCHEMBL29285045 0.81 PKM (0.43) RIPK1HTR6PRKDCATMATR
SCHEMBL29973612 0.81 CA1 (0.43) CA1CA2CA4CA6RIPK1
SCHEMBL25520194 0.81 CA1 (0.43) CA1CA2CA4CA6RIPK1
SCHEMBL2521493 0.78 GAA (0.52) GAACA9CA12CA1CA2
SCHEMBL27651155 0.76 PRKDC (0.46) RIPK1PRKDCATMATRPIK3CA
SCHEMBL1439944 0.76 GAA (0.50) GAACA9CA12CA1CA2
SCHEMBL13163964 0.70 ALDH1A1 (0.49) GAACA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614055-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES Lupin Limited (IN) 2013-07-17 EP disclosed
EP-2614055-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES Lupin Limited (IN) 2013-07-17 EP disclosed
WO-2012032389-A3 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2012-05-18 WO disclosed
WO-2012032389-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2012-03-15 WO disclosed
WO-2012032389-A2 PROCESS FOR PREPARATION OF SUBSTANTIALLY PURE FOSAMPRENAVIR CALCIUM AND ITS INTERMEDIATES LUPIN LIMITED (IN) 2012-03-15 WO disclosed