SCHEMBL3541126

SCHEMBL3541126

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(-c3cc(CO)on3)c(OC(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HPGD P15428 5/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 1/20 0.42
RCE1 Q9Y256 1/20 0.42
ALOX5 P09917 3/20 0.42
PRNP P04156 1/20 0.41
PTGS2 P35354 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 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
SCHEMBL3536946 0.90 ANO1 (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2836462 0.87 CYP3A4 (0.39)
SCHEMBL3543015 0.84 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL12940051 0.82 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL3535680 0.80 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL3538087 0.80 MEN1 (0.58) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL2843923 0.80 ANO1 (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL2835207 0.79 CYP3A4 (0.38)
SCHEMBL3535984 0.79 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL15385011 0.79 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHPGD

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 189/4885MEN1 3779/4885
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 189/4885MEN1 3779/4885
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 189/4885MEN1 3779/4885

“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.