SCHEMBL4476990

SCHEMBL4476990

CCOC(=O)CC(O)(CCc1ccc(C(C)(C)C#N)c(F)c1)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CASR P41180 1/20 0.31
EPHX2 P34913 1/20 0.31
S1PR3 Q99500 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
FDFT1 P37268 1/20 0.30

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
SCHEMBL12344015 0.93 ALDH1A1 (0.33) NR1H4ALDH1A1CYP11B1CYP11B2KDM4E
SCHEMBL4468478 0.89 SLC13A5 (0.33)
SCHEMBL4485037 0.89 SLC13A5 (0.33)
SCHEMBL4478875 0.86 PPARG (0.31)
SCHEMBL12341133 0.85 ALDH1A1 (0.33) ALDH1A1CYP11B1CYP11B2KDM4ETSHR
SCHEMBL4478872 0.84 SLC13A5 (0.32) KDM4E
SCHEMBL4465893 0.84 FFAR4 (0.32)
SCHEMBL12341148 0.78 ALDH1A1 (0.33) ALDH1A1CYP11B1CYP11B2KDM4ETSHR
SCHEMBL12341168 0.77 DPP4 (0.34)
SCHEMBL4472204 0.75 CCR5 (0.33) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-8268835-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2012-09-18 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-7622605-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-11-24 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT NR1H4 50/4885ALDH1A1 792/4885CYP11B1 687/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT NR1H4 50/4885ALDH1A1 792/4885CYP11B1 687/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT NR1H4 50/4885ALDH1A1 792/4885CYP11B1 687/4885

“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.