SCHEMBL3539261

SCHEMBL3539261

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
ALDH1A1 P00352 5/20 0.64
HPGD P15428 5/20 0.64
NPSR1 Q6W5P4 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
TSHR P16473 2/20 0.62
HSD17B10 Q99714 2/20 0.62
GAA P10253 2/20 0.62
HTT P42858 1/20 0.62
RCE1 Q9Y256 1/20 0.62
PTGS2 P35354 3/20 0.62
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
SCHEMBL3540989 0.91 KDM4E (0.65) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL2299414 0.89 ALOX5 (0.72) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL2297356 0.89 MAPT (0.69) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL3539969 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL6118735 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL6118981 0.89 KDM4E (0.62) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL2294234 0.88 L3MBTL1 (0.55) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL3543307 0.85 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL10240097 0.85 ANO1 (0.53) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL12940051 0.85 KDM4E (0.52) KDM4EALDH1A1HPGDNPSR1L3MBTL1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567442-B Inhibitors of hepatitis C virus polymerase 共晶制药公司 2021-05-25 CN disclosed
US-10947210-B2 Inhibitors of Hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2021-03-16 US disclosed
US-10947210-B2 Inhibitors of Hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2021-03-16 US disclosed
US-20200255393-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2020-08-13 US disclosed
US-20200255393-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2020-08-13 US disclosed
US-10464914-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-11-05 US disclosed
US-10464914-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-11-05 US disclosed
EP-3274340-B1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA INC (US) 2019-07-17 EP disclosed
US-20180050998-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2018-02-22 US disclosed
US-20180050998-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2018-02-22 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
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 (8 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-20200255393-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLI, POLR2E, POLR2H KDM4E 3514/4885ALDH1A1 114/4885HPGD 1823/4885
US-10464914-B2 Inhibitors of hepatitis C virus polymerase POLI, POLR2E, POLR2H KDM4E 3514/4885ALDH1A1 114/4885HPGD 1823/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KDM4E 4218/4885ALDH1A1 239/4885HPGD 1393/4885
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-10947210-B2 Inhibitors of Hepatitis C virus polymerase POLI, POLR2E, POLR2H KDM4E 3514/4885ALDH1A1 114/4885HPGD 1823/4885
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
US-20180050998-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLI, POLR2E, POLR2H KDM4E 3514/4885ALDH1A1 114/4885HPGD 1823/4885

“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.