SCHEMBL2949211

SCHEMBL2949211

COC(=O)c1cc(S(C)(=O)=O)c(Oc2ccc(S(=O)(=O)Cl)c(S(F)(F)(F)(F)F)c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.34
EPAS1 Q99814 2/20 0.32
SCN9A Q15858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MET P08581 1/20 0.31
AXL P30530 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 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
SCHEMBL2955364 0.94 VCAM1 (0.36) VCAM1METAXLKCNQ3KCNQ2
SCHEMBL14026775 0.89 KDM4E (0.36) VCAM1METAXLKCNQ3KCNQ2
SCHEMBL2947872 0.87 GCK (0.38)
SCHEMBL8269971 0.86 VCAM1 (0.31) VCAM1METAXLKCNQ3KCNQ2
SCHEMBL14026777 0.86 KCNQ3 (0.35) VCAM1EPAS1TDP1KCNQ3KCNQ2
SCHEMBL8271434 0.84 VCAM1 (0.37) VCAM1TDP1KCNQ3KCNQ2
SCHEMBL2951229 0.83 VCAM1 (0.30) VCAM1METAXLKCNQ3KCNQ2
SCHEMBL2958952 0.83 VCAM1 (0.46) VCAM1TDP1
SCHEMBL2947817 0.83 VCAM1 (0.32) VCAM1EPAS1TDP1METAXL
SCHEMBL2947868 0.83 KCNQ3 (0.42) VCAM1METAXLKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763661-B2 Ortho-substituted pentafluorosulfanyl benzenes, method for the production thereof and their use as synthesis intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-7763661-B2 Ortho-substituted pentafluorosulfanyl benzenes, method for the production thereof and their use as synthesis intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
US-7763661-B2 Ortho-substituted pentafluorosulfanyl benzenes, method for the production thereof and their use as synthesis intermediates SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-27 US disclosed
EP-1791813-B1 PENTAFLUOROSULFANYLPHENYL-SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC AGENT, AND A MEDICAMENT CONTAINING THESE COMPOUNDS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-29 EP disclosed
US-7446225-B2 Pentafluorosulfanylphenyl-substituted benzoylguanidines, method for the production thereof, their use as a medicament or diagnostic agent, and a medicament containing these compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-04 US disclosed
US-7446225-B2 Pentafluorosulfanylphenyl-substituted benzoylguanidines, method for the production thereof, their use as a medicament or diagnostic agent, and a medicament containing these compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-04 US disclosed
US-7446225-B2 Pentafluorosulfanylphenyl-substituted benzoylguanidines, method for the production thereof, their use as a medicament or diagnostic agent, and a medicament containing these compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-04 US disclosed
US-20070259963-A1 Pentafluorosulfanylphenyl-substituted benzoylguanidines, method for the production thereof, their use as a medicament or diagnostic agent, and a medicament containing these compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 US disclosed
US-20070259963-A1 Pentafluorosulfanylphenyl-substituted benzoylguanidines, method for the production thereof, their use as a medicament or diagnostic agent, and a medicament containing these compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 US disclosed
US-20070259963-A1 Pentafluorosulfanylphenyl-substituted benzoylguanidines, method for the production thereof, their use as a medicament or diagnostic agent, and a medicament containing these compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 US disclosed
US-20070259943-A1 ORTHO-SUBSTITUTED PENTAFLUOROSULFANYL BENZENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SYNTHESIS INTERMEDIATES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 US disclosed
US-20070259943-A1 ORTHO-SUBSTITUTED PENTAFLUOROSULFANYL BENZENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SYNTHESIS INTERMEDIATES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 US disclosed
US-20070259943-A1 ORTHO-SUBSTITUTED PENTAFLUOROSULFANYL BENZENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SYNTHESIS INTERMEDIATES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-11-08 US disclosed
WO-2006027130-A1 PENTAFLUOROSULFANYLPHENYL-SUBSTITUTED BENZOYLGUANIDINES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT OR DIAGNOSTIC AGENT, AND A MEDICAMENT CONTAINING THESE COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-16 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-20070259943-A1 ORTHO-SUBSTITUTED PENTAFLUOROSULFANYL BENZENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SYNTHESIS INTERMEDIATES PFAS, DDT, PNPO VCAM1 4838/4885EPAS1 4582/4885SCN9A 4002/4885
US-20070259963-A1 Pentafluorosulfanylphenyl-substituted benzoylguanidines, method for the production thereof, their use as a medicament or diagnostic agent, and a medicament containing these compounds FANCI, SLCO1B1, SLCO1B3 VCAM1 4280/4885EPAS1 4627/4885SCN9A 1117/4885

“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.