SCHEMBL2947872

SCHEMBL2947872

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.38
USP2 O75604 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL14026775 0.90 KDM4E (0.36) KDM4EHSD17B10
SCHEMBL2955364 0.90 VCAM1 (0.36) KDM4EHSD17B10
SCHEMBL14026777 0.87 KCNQ3 (0.35)
SCHEMBL2949211 0.87 VCAM1 (0.34)
SCHEMBL8269971 0.85 VCAM1 (0.31) GCKKDM4EHSD17B10
SCHEMBL8271434 0.85 VCAM1 (0.37) ALDH1A1HPGD
SCHEMBL2947817 0.84 VCAM1 (0.32) ALDH1A1TSHR
SCHEMBL2958952 0.84 VCAM1 (0.46) ALDH1A1MAPTHPGDKMT2A
SCHEMBL2951229 0.84 VCAM1 (0.30)
SCHEMBL2947868 0.84 KCNQ3 (0.42) KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791814-B1 ORTHO-SUBSTITUTED PENTAFLUOROSULFANYL BENZENES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SYNTHESIS INTERMEDIATES SANOFI AVENTIS DEUTSCHLAND (DE) 2011-06-29 EP 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
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 GCK 2587/4885USP2 1397/4885KDM4E 2274/4885
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 GCK 741/4885USP2 915/4885KDM4E 3568/4885

“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.