SCHEMBL448018

SCHEMBL448018

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
MCL1 Q07820 2/20 0.38
ALDH1A1 P00352 5/20 0.38
PTGES2 Q9H7Z7 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
RECQL P46063 1/20 0.36
ACLY P53396 2/20 0.36
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
CXCR2 P25025 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 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
SCHEMBL30795090 1.00 LMNA (0.40) LMNACYP1A2CYP2C19CYP2C9MCL1
SCHEMBL448016 0.89 ALDH1A1 (0.41) ALDH1A1ACLYPOLBCXCR2PDK1
SCHEMBL449207 0.89 MCL1 (0.43) LMNACYP1A2CYP2C19CYP2C9MCL1
SCHEMBL30794636 0.89 MCL1 (0.43) LMNACYP1A2CYP2C19CYP2C9MCL1
SCHEMBL448838 0.86 CYP2C9 (0.39) LMNACYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL30795166 0.86 CYP2C9 (0.39) LMNACYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL30794605 0.79 ALDH1A1 (0.42) LMNACYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL451705 0.79 ALDH1A1 (0.42) LMNACYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL449648 0.79 PTGS2 (0.49) LMNACYP1A2CYP2C9CYP3A4GAA
SCHEMBL30795150 0.79 PTGS2 (0.49) LMNACYP1A2CYP2C9CYP3A4GAA

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 LMNA 1169/4885CYP1A2 1632/4885CYP2C19 2337/4885

“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.