SCHEMBL776573

SCHEMBL776573

Cc1ccc(S(=O)(=O)O)cc1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
PTGS2 P35354 11/20 0.40
PTGS1 P23219 5/20 0.40
SLC22A12 Q96S37 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
TRIM24 O15164 1/20 0.39
SLC9A1 P19634 1/20 0.38

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
SCHEMBL778650 0.86 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL3885748 0.84 S1PR4 (0.43) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6236664 0.83 ESR2 (0.45) MMP1MMP2MMP3MMP7MMP9
SCHEMBL778956 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL3151103 0.82 ALDH1A1 (0.48) PTGS2
SCHEMBL7510471 0.80 CA12 (0.47) MMP2MMP7PTGS2MMP14
SCHEMBL11587247 0.79 DHFR (0.46) TRIM24
SCHEMBL2952541 0.79 PTPN1 (0.54) PTPN1MMP1MMP2MMP3MMP7
SCHEMBL11539342 0.78 CA12 (0.42) PTPN1PTGS2TRIM24
SCHEMBL10304978 0.78 ABL1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed