SCHEMBL1648491

SCHEMBL1648491

CC(C)(C)OC(=O)C(N)COc1c(-c2ccoc2)ccc(CS(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.36
NAT1 P18440 3/20 0.33
LTA4H P09960 1/20 0.30
ALOX5AP P20292 1/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6844906 0.87 METAP2 (0.40) METAP2NAT1ALOX5APFABP4FABP5
Hydrochloric Acid SCHEMBL1648036 0.86 METAP2 (0.39) METAP2NAT1ALOX5APFABP4FABP5
SCHEMBL1649263 0.85 METAP2 (0.37) METAP2NAT1MMP13
SCHEMBL18801133 0.84 METAP2 (0.36) METAP2NAT1FABP4FABP5MMP13
SCHEMBL14719715 0.83 METAP2 (0.36) METAP2NAT1FABP4FABP5MMP13
SCHEMBL1648269 0.82 METAP2 (0.43) METAP2NAT1FABP4FABP5
SCHEMBL6844868 0.82 METAP2 (0.35) METAP2NAT1ALOX5APFABP4FABP5
SCHEMBL1648904 0.82 PDK2 (0.38) METAP2NAT1FABP4FABP5MMP13
SCHEMBL1648412 0.82 CA1 (0.40) METAP2FABP4FABP5
SCHEMBL1649052 0.82 CA1 (0.41) METAP2

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-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
CN-102639494-A Sulphone compounds and methods of making and using same ZAFGEN CORP 2012-08-15 CN disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed