SCHEMBL9538778

SCHEMBL9538778

CC(O)c1ccc(NS(=O)(=O)C(F)(F)F)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
PTGS1 P23219 5/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 1/20 0.38
CNR1 P21554 5/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NR3C2 P08235 1/20 0.33
MAPK14 Q16539 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL9537176 0.87 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL9534367 0.81 PTGS2 (0.55) PTGS2PTGS1CA2CA1LMNA
SCHEMBL9536821 0.76 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL9536981 0.76 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL9537156 0.72 ADRB3 (0.52) PTGS2PTGS1
SCHEMBL10625554 0.72 CA2 (0.66) PTGS2PTGS1CA2CA1LMNA
SCHEMBL19333346 0.69 CA2 (0.47) PTGS2PTGS1CA2CA1POLB
SCHEMBL9539328 0.68 PTGS2 (0.50) PTGS2PTGS1LMNAPOLBMAPK14
SCHEMBL9537442 0.68 PTGS2 (0.58) PTGS2PTGS1LMNA
SCHEMBL9537417 0.68 PTGS2 (0.55) PTGS2PTGS1MAPK14

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-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed