SCHEMBL13768009

SCHEMBL13768009

COc1cc(Cl)ccc1CCS(=O)(=O)Nc1ccc(C(=O)O)cc1[SH](=O)=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 12/20 0.59
USP2 O75604 1/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5A P29375 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
APLNR P35414 1/20 0.40
ACLY P53396 1/20 0.40
PYGL P06737 1/20 0.40
TTR P02766 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39

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
SCHEMBL3781079 0.84 PTGES2 (0.81) PTGES2USP2
SCHEMBL3780960 0.77 PTGES2 (0.81) PTGES2
SCHEMBL3782599 0.75 PTGES2 (1.00) PTGES2
SCHEMBL13639463 0.74 PTGES2 (0.71) PTGES2PYGL
SCHEMBL3784257 0.73 PTGES2 (1.00) PTGES2
SCHEMBL13639465 0.72 PTGES2 (0.67) PTGES2PYGL
SCHEMBL3782425 0.71 PTGES2 (1.00) PTGES2
SCHEMBL3777997 0.71 PTGES2 (1.00) PTGES2
SCHEMBL3782831 0.71 PTGES2 (1.00) PTGES2
SCHEMBL3778531 0.69 PTGES2 (1.00) PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed