SCHEMBL2837262

SCHEMBL2837262

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC(OC)S(C)(=O)=O)c(OCc3cccc(C#N)c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2839123 0.92 ANO1 (0.41) ANO1CYP3A4CYP2C9CYP2C19
SCHEMBL2840553 0.88 PDCD1 (0.39) ANO1PDCD1CD274CYP3A4CYP2C9
SCHEMBL2837259 0.85 ANO1 (0.38) ANO1PDCD1CD274CYP3A4CYP2C9
SCHEMBL2840557 0.84 CACNA1C (0.49)
SCHEMBL2837263 0.83 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19
SCHEMBL2844134 0.83 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19
SCHEMBL2839062 0.80 CYP3A4 (0.41) ANO1CYP3A4CYP2C9CYP2C19
SCHEMBL2843935 0.78 CYP2C9 (0.43) CYP3A4CYP2C9CYP2C19
SCHEMBL2836189 0.77 ANO1 (0.46) ANO1CYP3A4CYP2C9CYP2C19
SCHEMBL2839120 0.77 ANO1 (0.41) ANO1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4537315-B2 2010-09-01 JP claimed
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
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP claimed
JP-2006510736-A 2006-03-30 JP claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP 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
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO 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 ANO1 3901/4885PDCD1 3099/4885CD274 3806/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 ANO1 3901/4885PDCD1 3099/4885CD274 3806/4885

“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.