SCHEMBL2947868

SCHEMBL2947868

COC(=O)c1cc(S(C)(=O)=O)c(Oc2ccc(S(F)(F)(F)(F)F)cc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNQ5 Q9NR82 1/20 0.41
MET P08581 1/20 0.36
AXL P30530 1/20 0.36
VCAM1 P19320 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2951179 0.88 KCNQ3 (0.44) KCNQ3KCNQ2KCNQ5VCAM1
SCHEMBL14026775 0.86 KDM4E (0.36) KCNQ3KCNQ2METAXLVCAM1
SCHEMBL2955364 0.86 VCAM1 (0.36) KCNQ3KCNQ2METAXLVCAM1
SCHEMBL2947872 0.84 GCK (0.38) HPGDKDM4EHSD17B10
SCHEMBL2949211 0.83 VCAM1 (0.34) KCNQ3KCNQ2METAXLVCAM1
SCHEMBL14026777 0.83 KCNQ3 (0.35) KCNQ3KCNQ2KCNQ5VCAM1
SCHEMBL8292440 0.82 SLC9A1 (0.57)
SCHEMBL8271434 0.81 VCAM1 (0.37) KCNQ3KCNQ2KCNQ5VCAM1HPGD
SCHEMBL8269971 0.81 VCAM1 (0.31) KCNQ3KCNQ2METAXLVCAM1
SCHEMBL5087619 0.81 SLC9A1 (0.48) VCAM1KDM4ESMN1; SMN2HSD17B10

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 6 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
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

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

For each of this compound's patents that has machine-readable text (1 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 KCNQ3 1864/4885KCNQ2 1230/4885KCNQ5 2056/4885

“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.