SCHEMBL7859424

SCHEMBL7859424

CS(=O)(=O)OC(c1ccccc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
SRC P12931 1/20 0.36
POLB P06746 1/20 0.36
CYP24A1 Q07973 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
SCN9A Q15858 1/20 0.33
HSD11B1 P28845 1/20 0.33
ACP1 P24666 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN13 Q12923 1/20 0.33
SSU72 Q9NP77 1/20 0.33

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
SCHEMBL1273035 0.83 NPSR1 (0.39) NPSR1L3MBTL1GAAMAPK1SRC
SCHEMBL1273034 0.83 NPSR1 (0.39) NPSR1L3MBTL1GAAMAPK1SRC
SCHEMBL12800458 0.83 NPSR1 (0.39) NPSR1L3MBTL1GAAMAPK1SRC
SCHEMBL24360806 0.83 FFAR1 (0.41) L3MBTL1SRCPOLBALDH1A1CYP3A4
SCHEMBL28536430 0.82 CYP3A4 (0.33) MAPK1ALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL29119873 0.81 NPSR1 (0.38) NPSR1L3MBTL1GAAMAPK1SRC
SCHEMBL4119973 0.81 SRC (0.44) NPSR1L3MBTL1GAAMAPK1SRC
SCHEMBL27512102 0.80 NPSR1 (0.38) NPSR1L3MBTL1GAAMAPK1SRC
SCHEMBL16563235 0.80 KIF11 (0.45) MAPK1ALDH1A1ACP1
Acetic Acid SCHEMBL27871968 0.78 LMNA (0.42) GAAMAPK1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915651-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6271261-B1 CHEMOKINE MEDIATED DISEASES, BINDING INTERLEUKINS OR BETA-RECEPTORS AND ADMINISTERING TO MAMMALS SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
WO-1999047132-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-23 WO disclosed
EP-0915651-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-19 EP disclosed
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
WO-1997049286-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed