SCHEMBL4622356

SCHEMBL4622356

CN(C1c2cc(OCCCC(F)(F)F)ccc2OC(C)(C)C1O)S(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 17/20 1.00
KCNQ1 P51787 17/20 1.00
KCNH2 Q12809 1/20 1.00
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
KCND3 Q9UK17 1/20 0.46
ABCB1 P08183 1/20 0.37
MAOB P27338 1/20 0.37
CACNA1B Q00975 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
SCHEMBL4623436 1.00 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL29963612 1.00 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL4622354 1.00 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL8483344 0.96 KCNE1 (0.92) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6938828 0.96 KCNE1 (0.92) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6938824 0.96 KCNE1 (0.92) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6932256 0.89 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6935433 0.89 KCNE1 (1.00) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6932421 0.89 KCNE1 (0.80) KCNE1KCNQ1KCNH2MEN1CYP1A2
SCHEMBL6932423 0.89 KCNE1 (0.80) KCNE1KCNQ1KCNH2MEN1CYP1A2

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-20020055537-A1 Use of inhibitors of the KQT1 channel and methods of controlling and treating diseases caused by helminths and ectoparasites AVENTIS PHARMA DEUTSCHLAND GMBH 2002-05-09 US claimed
US-6335363-B1 ADMINISTERING 4-(SULFONYLAMINO-)-CHROMANE DERIVATIVE AS INSECTICIDE, NEMATOCIDE, FUNGICIDE OR PESTICIDE FOR CROP PROTECTION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-01 US claimed
EP-1140042-B1 UTILIZATION OF INHIBITORS OF THE KQT1 CHANNEL IN ORDER TO PRODUCE A MEDICAMENT FOR TREATING DISEASES WHICH ARE CAUSED BY PARASITIC HELMINTHS AND ECTOPARASITES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-26 EP disclosed
EP-0913396-B1 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
US-6008245-A TREATMENT OF PROPHYLAXIS AND CARDIOVASCULAR DISORDERS, IN PARTICULAR ARRHYTHMIAS, FOR THE TREATMENT OF ULCERS OF THE GASTROINTESTINAL DISORDERS, DIARRHEAL DISEASES HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 1999-12-28 US disclosed
EP-0913396-A2 Sulphonamide substituted benzopyran derivatives, process of preparation, their use as medicines and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-06 EP 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-20020055537-A1 Use of inhibitors of the KQT1 channel and methods of controlling and treating diseases caused by helminths and ectoparasites KCNQ1, KCNQ2, KCNQ3 KCNE1 17/4885KCNQ1 1/4885KCNH2 33/4885

“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.