SCHEMBL778690

SCHEMBL778690

O=S(=O)(Oc1cccc(F)c1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 2/20 0.44
PGR P06401 1/20 0.42
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTPN1 P18031 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
HSD11B1 P28845 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
SCHEMBL5178160 0.88 CA1 (0.56) CA1CA2CA9DRD2DRD1
SCHEMBL13416088 0.82 CA1 (0.45) CA1CA2CA9DRD2DRD1
SCHEMBL5177944 0.82 CA1 (0.50) CA1CA2CA9PGRDRD2
SCHEMBL780159 0.82 CA1 (0.48) CA1CA2CA9PGRPPARG
SCHEMBL27542368 0.81 MRGPRX4 (0.46) CA1CA2CA9PTPN1
SCHEMBL778981 0.81 CA1 (0.45) CA1CA2CA9PGRPPARG
SCHEMBL18532799 0.81 CA1 (0.48) CA1CA2CA9DRD2DRD1
SCHEMBL19568048 0.80 CA1 (0.47) CA1CA2CA9PGRPPARG
SCHEMBL28898180 0.80 CA1 (0.47) CA1CA2CA9PGRPPARG
SCHEMBL775781 0.79 CA1 (0.37) CA1CA2HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094638-B1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-08-08 EP claimed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
CN-114867726-B Small molecule inhibitors of KRAS G12C mutants 默沙东有限责任公司 2023-11-28 CN 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-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (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
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
CN-113692401-A Process for producing aromatic amino acid derivative 中外制药株式会社 2021-11-23 CN 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
CN-102195005-A Organic light-emitting diode, display and illuminating device TOSHIBA KK 2011-09-21 CN disclosed
US-20110215304-A1 ORGANIC LIGHT-EMITTING DIODE, DISPLAY AND ILLUMINATING DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2011-09-08 US disclosed
US-20110215304-A1 ORGANIC LIGHT-EMITTING DIODE, DISPLAY AND ILLUMINATING DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2011-09-08 US disclosed
US-20110215304-A1 ORGANIC LIGHT-EMITTING DIODE, DISPLAY AND ILLUMINATING DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2011-09-08 US disclosed
US-20100123389-A1 LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2010-05-20 US disclosed
US-20100123389-A1 LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2010-05-20 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
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP 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 (4 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-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CA1 1106/4885CA2 821/4885CA9 953/4885
US-20100123389-A1 LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, CRY1, LUC7L2 CA1 3472/4885CA2 3227/4885CA9 3129/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR CA1 1106/4885CA2 821/4885CA9 953/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR CA1 1106/4885CA2 821/4885CA9 953/4885

“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.