SCHEMBL449207

SCHEMBL449207

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
GSTO1 P78417 1/20 0.41
FEN1 P39748 4/20 0.40
ALOX5AP P20292 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.38
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
ACLY P53396 1/20 0.37
CXCL8 P10145 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
SCHEMBL30794636 1.00 MCL1 (0.43) MCL1GSTO1FEN1ALOX5APALDH1A1
SCHEMBL448018 0.89 LMNA (0.40) MCL1ALDH1A1LMNAPDK1PDK2
SCHEMBL30795090 0.89 LMNA (0.40) MCL1ALDH1A1LMNAPDK1PDK2
SCHEMBL439442 0.88 GSTO1 (0.44) GSTO1FEN1ALOX5APALDH1A1PDK1
SCHEMBL30794423 0.88 GSTO1 (0.44) GSTO1FEN1ALOX5APALDH1A1PDK1
SCHEMBL451381 0.85 CXCL8 (0.49) GSTO1ALDH1A1LMNAPDK1PDK2
SCHEMBL449608 0.81 GSTO1 (0.58) MCL1GSTO1FEN1ALOX5APALDH1A1
SCHEMBL448977 0.79 CYP2C19 (0.46) GSTO1FEN1ALOX5APALDH1A1LMNA
SCHEMBL448016 0.77 ALDH1A1 (0.41) GSTO1ALDH1A1PDK1PDK2PDK3
SCHEMBL449148 0.76 PTGS2 (0.52) LMNACYP1A2CYP3A4CYP2C9CXCL8

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 10 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
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
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

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 MCL1 2992/4885GSTO1 1842/4885FEN1 4780/4885

“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.