SCHEMBL5488880

SCHEMBL5488880

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NCS(C)(=O)=O)c(OCc3ccc(F)c(F)c3)cc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
ANO1 Q5XXA6 5/20 0.46
CACNA1C Q13936 2/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL2841605 0.90 ANO1 (0.43) CYP2C9CYP3A4CYP2C19ANO1CACNA1C
SCHEMBL2841444 0.90 ANO1 (0.46) CYP2C9CYP3A4CYP2C19ANO1KCNH2
SCHEMBL2842404 0.90 ANO1 (0.54) CYP2C9CYP3A4CYP2C19ANO1
SCHEMBL2835214 0.89 MAPT (0.44) CYP2C9CYP3A4CYP2C19ANO1KCNH2
SCHEMBL2845281 0.89 CYP3A4 (0.42) CYP2C9CYP3A4CYP2C19ANO1CACNA1C
SCHEMBL2836793 0.88 ANO1 (0.42) CYP2C9CYP3A4CYP2C19ANO1KCNH2
SCHEMBL2839062 0.88 CYP3A4 (0.41) CYP2C9CYP3A4CYP2C19ANO1KCNH2
SCHEMBL2838537 0.88 ANO1 (0.46) CYP2C9CYP3A4CYP2C19ANO1CACNA1C
SCHEMBL2841509 0.88 ANO1 (0.43) CYP2C9CYP3A4CYP2C19ANO1
SCHEMBL2836189 0.88 ANO1 (0.46) CYP2C9CYP3A4CYP2C19ANO1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US claimed
US-7265152-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2007-09-04 US claimed
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 (2 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 CYP2C9 129/4885CYP3A4 38/4885CYP2C19 117/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 CYP2C9 129/4885CYP3A4 38/4885CYP2C19 117/4885

“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.