SCHEMBL7863630

SCHEMBL7863630

CS(=O)(=O)c1ccc(C(Br)C=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.36
KCNH2 Q12809 1/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
ADRB2 P07550 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM4 Q14833 1/20 0.32
SHBG P04278 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7861165 0.79 CCR2 (0.35) CCR2KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL11993144 0.78 CCR2 (0.41) CCR2KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL998053 0.77 CES2 (0.42) SHBG
SCHEMBL48662 0.76 PIK3CD (0.39) CCR2KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL4063849 0.74 KDM1A (0.33) KCNH2SHBG
SCHEMBL1701126 0.74 SHBG (0.50) SHBG
SCHEMBL21164275 0.73 CCR2 (0.38) CCR2KCNH2PIK3CDPIK3CAPIK3CB
SCHEMBL6180857 0.73 SHBG (0.39) SHBG
SCHEMBL20722071 0.73 PSEN1 (0.35) KCNH2
SCHEMBL3973135 0.73 PSEN1 (0.35) KCNH2

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-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed