SCHEMBL3540989

SCHEMBL3540989

CCOC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OC(F)F)cc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 5/20 0.63
HPGD P15428 5/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PTGS2 P35354 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 4/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
GAA P10253 2/20 0.59
HTT P42858 1/20 0.59
RCE1 Q9Y256 1/20 0.59
ALOX5 P09917 1/20 0.57
RAD52 P43351 1/20 0.55
ANO1 Q5XXA6 1/20 0.54

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
SCHEMBL3539261 0.91 KDM4E (0.68) KDM4EALDH1A1HPGDL3MBTL1PTGS2
SCHEMBL3539969 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDL3MBTL1PTGS2
SCHEMBL1918033 0.84 ALOX5 (0.79) KDM4EALDH1A1HPGDL3MBTL1PTGS2
SCHEMBL3545360 0.84 ANO1 (0.63) KDM4EALDH1A1HPGDHSD17B10ANO1
SCHEMBL2401078 0.83 ALOX5 (0.65) KDM4EALDH1A1HPGDL3MBTL1PTGS2
SCHEMBL2838323 0.82 ANO1 (0.51) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL14710741 0.81 MAPT (0.64) KDM4EALDH1A1HPGDL3MBTL1PTGS2
SCHEMBL14710206 0.81 ALOX5 (0.60) KDM4EALDH1A1HPGDL3MBTL1PTGS2
SCHEMBL2297356 0.80 MAPT (0.69) KDM4EALDH1A1HPGDL3MBTL1PTGS2
SCHEMBL2299414 0.80 ALOX5 (0.72) KDM4EALDH1A1HPGDL3MBTL1PTGS2

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
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US disclosed
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2009-11-12 US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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 (3 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 KDM4E 2787/4885ALDH1A1 189/4885HPGD 584/4885
US-20090281336-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 KDM4E 2787/4885ALDH1A1 189/4885HPGD 584/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 KDM4E 2787/4885ALDH1A1 189/4885HPGD 584/4885

“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.