SCHEMBL8489691

SCHEMBL8489691

CC(O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 16/20 0.74
ABCC8 Q09428 16/20 0.74
KCNJ11 Q14654 16/20 0.74
KCNJ8 Q15842 16/20 0.74
MEN1 O00255 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
TSHR P16473 1/20 0.74
CYP2C19 P33261 1/20 0.74
KMT2A Q03164 1/20 0.74
PDK1 Q15118 6/20 0.71
PDK2 Q15119 6/20 0.71
PDK3 Q15120 6/20 0.71
PDK4 Q16654 6/20 0.71
ABCB11 O95342 1/20 0.61

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
SCHEMBL2128828 0.85 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6359557 0.84 PDK1 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL28050469 0.84 PDK1 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL5748675 0.82 PTGES2 (0.74) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6570953 0.81 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6568189 0.80 ABCB11 (0.69) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6568185 0.80 ABCB11 (0.69) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8488331 0.80 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6570941 0.80 PTGES2 (0.65) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL27553234 0.80 PTGES2 (0.65) ABCC9ABCC8KCNJ11KCNJ8MEN1

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
WO-1999062873-A1 BENZENESULPHONAMIDE DERIVATIVES AS PYRUVATE DEHYDROGENASE ACTIVATORS ASTRAZENECA AB (SE) 1999-12-09 WO claimed
EP-0625516-B1 Benzenesulphonamide derivatives for the treatment of bladder instability ZENECA LTD (GB) 1998-09-09 EP claimed
WO-1999062873-A1 BENZENESULPHONAMIDE DERIVATIVES AS PYRUVATE DEHYDROGENASE ACTIVATORS ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
US-5693639-A TREATING URINARY INCONTINENCE ZENECA LIMITED (GB) 1997-12-02 US disclosed
US-5510386-A ADMINISTERING TO RELAX SMOOTH MUSCLE OF THE BLADDER ZENECA LIMITED (GB) 1996-04-23 US disclosed