SCHEMBL2958952

SCHEMBL2958952

COC(=O)c1cc(S(C)(=O)=O)c(Oc2ccc([N+](=O)[O-])c(S(F)(F)(F)(F)F)c2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
USP10 Q14694 1/20 0.39
THRB P10828 4/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
TBXA2R P21731 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8271434 0.91 VCAM1 (0.37) VCAM1TDP1ALDH1A1HPGDNPSR1
SCHEMBL2955364 0.87 VCAM1 (0.36) VCAM1SMN1; SMN2
SCHEMBL14026775 0.87 KDM4E (0.36) VCAM1SMN1; SMN2
SCHEMBL2947872 0.84 GCK (0.38) ALDH1A1HPGDMAPTKMT2A
SCHEMBL14026777 0.83 KCNQ3 (0.35) VCAM1TDP1
SCHEMBL2949211 0.83 VCAM1 (0.34) VCAM1TDP1
SCHEMBL2947817 0.83 VCAM1 (0.32) VCAM1TDP1ALDH1A1NPSR1
SCHEMBL8269971 0.82 VCAM1 (0.31) VCAM1SMN1; SMN2
SCHEMBL2951229 0.81 VCAM1 (0.30) VCAM1
SCHEMBL2947868 0.80 KCNQ3 (0.42) VCAM1HPGDSMN1; SMN2

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 8 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-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-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 (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 4838/4885TDP1 3011/4885ALDH1A1 729/4885
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 4280/4885TDP1 3257/4885ALDH1A1 455/4885

“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.