SCHEMBL439442

SCHEMBL439442

O=S(=O)(NCCO)c1ccccc1Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
CXCL8 P10145 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
ACLY P53396 3/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
FEN1 P39748 3/20 0.38
FTO Q9C0B1 2/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL30794423 1.00 GSTO1 (0.44) GSTO1PDK1PDK2PDK3PDK4
SCHEMBL451381 0.89 CXCL8 (0.49) GSTO1PDK1PDK2PDK3PDK4
SCHEMBL448016 0.88 ALDH1A1 (0.41) GSTO1PDK1PDK2PDK3PDK4
SCHEMBL30794636 0.88 MCL1 (0.43) GSTO1PDK1PDK2PDK3PDK4
SCHEMBL449207 0.88 MCL1 (0.43) GSTO1PDK1PDK2PDK3PDK4
SCHEMBL30794951 0.80 PTGS2 (0.52) CXCL8MAPTTHRBFTOGAA
SCHEMBL449148 0.80 PTGS2 (0.52) CXCL8MAPTTHRBFTOGAA
SCHEMBL453503 0.79 GSTO1 (0.63) GSTO1PDK1PDK2PDK3PDK4
SCHEMBL30795090 0.77 LMNA (0.40) PDK1PDK2PDK3PDK4ACLY
SCHEMBL448018 0.77 LMNA (0.40) PDK1PDK2PDK3PDK4ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 US claimed
EP-2231594-B1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF UNIV RAMOT (IL) 2013-03-27 EP claimed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 US claimed
EP-2231594-A2 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF Ramot at Tel-Aviv University Ltd (IL) 2010-09-29 EP claimed
WO-2009071947-A2 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-06-11 WO claimed
US-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 US disclosed
US-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 US disclosed
US-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 US disclosed
EP-2231594-B1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF UNIV RAMOT (IL) 2013-03-27 EP disclosed
EP-2231594-B1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF UNIV RAMOT (IL) 2013-03-27 EP disclosed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 US disclosed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 US disclosed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 US disclosed
EP-2231594-A2 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF Ramot at Tel-Aviv University Ltd (IL) 2010-09-29 EP disclosed
WO-2009071947-A2 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-06-11 WO disclosed
WO-2009071947-A2 POTASSIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-06-11 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 (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-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF KCNN3, SCN2B, SCN1B GSTO1 1842/4885PDK1 2292/4885PDK2 1794/4885

“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.