SCHEMBL7112614

SCHEMBL7112614

O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(CCCCCO)c1cccc(OCO)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
MTNR1A P48039 11/20 0.34
MTNR1B P49286 11/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GRM2 Q14416 2/20 0.32
CETP P11597 1/20 0.32
MAPT P10636 1/20 0.32
F2 P00734 1/20 0.31

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
SCHEMBL6086093 0.76 KEAP1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6088452 0.75 KEAP1 (0.47) MAPT
SCHEMBL6087178 0.74 KEAP1 (0.36) MAPT
SCHEMBL8091276 0.67 F2 (0.45) MTNR1AMTNR1BF2
SCHEMBL7113281 0.65 CA1 (0.55) F2
SCHEMBL20954397 0.65 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL8365986 0.64 CA1 (0.53) F2
SCHEMBL20954395 0.63 CYP4F2 (0.56) CETP
SCHEMBL6087264 0.61 BMP1 (0.40)
SCHEMBL716796 0.60 TSHR (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3421350-B2 2003-06-30 JP claimed
JP-2000515545-A 2000-11-21 JP claimed
EP-0939627-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2000-10-04 EP claimed
EP-0939627-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-09-08 EP claimed
EP-0896533-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 1999-04-28 EP claimed
EP-0896533-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-02-17 EP claimed
WO-1998005315-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1998-02-12 WO claimed
WO-1997030677-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1997-08-28 WO claimed
EP-0939627-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2000-10-04 EP disclosed
EP-0939627-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-09-08 EP disclosed
WO-1998005315-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1998-02-12 WO disclosed