SCHEMBL778022

SCHEMBL778022

CCS(=O)(=O)c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.46
GAA P10253 1/20 0.41
PTGS2 P35354 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GBA1 P04062 6/20 0.37
KIF11 P52732 1/20 0.36
BRD4 O60885 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SOS1 Q07889 1/20 0.34
PNMT P11086 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
EEF2K O00418 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
SCHEMBL31714329 0.79 HTT (0.44) GAA
SCHEMBL16770864 0.78 PSIP1 (0.44) PSIP1GAAPTGS2KIF11BRD4
SCHEMBL777610 0.78 PSIP1 (0.56) PSIP1GAAGBA1BRD4
Fluoresone SCHEMBL24999 0.75 PSIP1 (0.58) PSIP1GAAPTGS2
SCHEMBL25247566 0.75 PSIP1 (0.41) PSIP1GAAPTGS2KIF11PNMT
SCHEMBL23203503 0.75 PSIP1 (0.41) PSIP1GAAPTGS2KIF11PNMT
SCHEMBL776779 0.75 PNMT (0.38) TRPV1GBA1SOS1PNMTCES2
SCHEMBL776672 0.74 PTGS2 (0.45) PTGS2
SCHEMBL776392 0.73 AGTR1 (0.35) PSIP1GAAKIF11CES2CES1
SCHEMBL4580447 0.73 SMN1; SMN2 (0.53)

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
US-10290901-B2 2019-05-14 US disclosed
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20170084955-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-23 US disclosed
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-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 US disclosed
US-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 US disclosed
EP-2231617-A1 BENZIMIDAZOLE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP disclosed
EP-2142517-A2 QUINAZOLINE COMPOUNDS Wyeth (US) 2010-01-13 EP disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 WO disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110034526-A1 Benzimidazole Compounds NR1H4, NR1H2, NR1H3 PSIP1 3641/4885GAA 2996/4885PTGS2 3642/4885
US-20100273816-A1 Quinazoline Compounds NR1H3, NR1H2, NR1I3 PSIP1 3842/4885GAA 2655/4885PTGS2 2501/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.