SCHEMBL4711064

SCHEMBL4711064

CCS(=O)(=O)Nc1ccccc1S(N)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 13/20 0.64
CA2 P00918 6/20 0.58
CA1 P00915 5/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA6 P23280 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
PSIP1 O75475 1/20 0.58

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
SCHEMBL23014659 0.82 PTGES2 (0.61) PTGES2CA2CA1
SCHEMBL12768022 0.82 PSIP1 (0.73) PSIP1
SCHEMBL1127421 0.81 CA2 (0.62) PTGES2CA2CA1CA9CA12
SCHEMBL10910563 0.80 PTGES2 (0.57) PTGES2CA2CA1CA9CA12
SCHEMBL3763309 0.79 CA2 (0.60) PTGES2CA2CA1CA9CA12
SCHEMBL3776686 0.78 PTGES2 (1.00) PTGES2
SCHEMBL3783849 0.78 PTGES2 (1.00) PTGES2CA2CA1CA9CA12
SCHEMBL1290833 0.77 PSIP1 (0.61) PTGES2PSIP1
SCHEMBL11722241 0.77 PSIP1 (0.61) PTGES2CA1CA9CA12PSIP1
SCHEMBL7354878 0.76 CA2 (0.59) PTGES2CA2CA1CA9CA12

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-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP claimed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed