SCHEMBL598333

SCHEMBL598333

O=S(=O)(Oc1ccc2ccc(OS(=O)(=O)C(F)(F)F)cc2c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 2/20 0.50
HSD11B1 P28845 1/20 0.49
PPARG P37231 1/20 0.46
HTR1D P28221 5/20 0.43
HTR1A P08908 4/20 0.43
HTR1B P28222 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CXCR2 P25025 2/20 0.40
ESR1 P03372 1/20 0.40
ATM Q13315 1/20 0.40
ESR2 Q92731 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL13933202 0.96 CA1 (0.49) CA1CA2CA9HSD11B1PPARG
SCHEMBL4056753 0.96 CA1 (0.51) CA1CA2CA9HSD11B1PPARG
SCHEMBL1713420 0.92 CA1 (0.61) CA1CA2CA9HSD11B1PPARG
SCHEMBL29839512 0.92 CA1 (0.61) CA1CA2CA9HSD11B1PPARG
SCHEMBL30036529 0.91 CYP1A2 (0.44) CA1CA2CA9HSD11B1PPARG
SCHEMBL1179389 0.91 L3MBTL1 (0.51) CA1CA2CA9HSD11B1PPARG
SCHEMBL18159331 0.91 HSD11B1 (0.47) CA1CA2CA9HSD11B1PPARG
SCHEMBL4557839 0.90 CA1 (0.55) CA1CA2CA9HSD11B1PPARG
SCHEMBL15370576 0.89 MEN1 (0.49) CA1CA2CA9HSD11B1PPARG
SCHEMBL1897441 0.89 KMT2A (0.56) CA1CA2CA9HSD11B1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
EP-2927283-B1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME TORAY INDUSTRIES (JP) 2018-07-18 EP disclosed
EP-2669262-B1 NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC CORP (JP) 2018-03-07 EP disclosed
EP-2669262-B1 NOVEL ANTHRACENE COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME JNC CORP (JP) 2018-03-07 EP disclosed
US-9748593-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same TORAY INDUSTRIES, INC. (JP) 2017-08-29 US disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
US-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed
US-7981525-B2 Naphthalene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-07-19 US disclosed
US-7452862-B2 Conformationally-controlled biologically active macrocyclic small molecules as motilin antagonists or ghrelin agonists TRANZYME PHARMA, INC. (CA) 2008-11-18 US disclosed
US-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-09-18 US disclosed
US-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2008-09-18 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
EP-1783189-A1 MATERIAL FOR LUMINESCENT ELEMENT AND LUMINESCENT ELEMENT TORAY INDUSTRIES, INC. (JP) 2007-05-09 EP disclosed
EP-1268495-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-02 EP disclosed
US-6465444-B2 PROTEIN TYROSINE PHOSPHATASES(PTP-1B); ANTIDIABETIC, ANTITUMOR AND ANOREXIGENIC AGENTS; COMBINATION THERAPY MERCK FROSST CANADA & CO. 2002-10-15 US disclosed
US-20020002149-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-01-03 US disclosed
WO-2001070754-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 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-20080224603-A1 NAPHTHALENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND AHR, CRY1, NR2E3 CA1 3542/4885CA2 3441/4885CA9 1915/4885
US-20020002149-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO CA1 4360/4885CA2 2577/4885CA9 1481/4885

“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.