SCHEMBL6841580

SCHEMBL6841580

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(OCNS(C)(=O)=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.43
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KCNH2 Q12809 2/20 0.42
CACNA1C Q13936 1/20 0.40

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
SCHEMBL16112899 0.83 ALDH1A1 (0.48) ANO1CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2839927 0.79 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL3395300 0.77 CYP2C9 (0.47) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL5514940 0.77 CYP2C9 (0.45) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL4758453 0.76 CYP2C9 (0.50) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL1918391 0.76 KDM4E (0.59) ANO1CYP3A4
SCHEMBL5514943 0.76 CYP3A4 (0.52) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL10240838 0.75 CYP3A4 (0.47) ANO1CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2841670 0.75 CYP2C9 (0.42) CYP2C9CYP3A4CYP2C19KCNH2CACNA1C
SCHEMBL2837609 0.75 ANO1 (0.55) ANO1CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US claimed

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-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ANO1 3901/4885CYP2C9 129/4885CYP3A4 38/4885

“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.