SCHEMBL5880848

SCHEMBL5880848

O=C1CC(=O)OC(CCc2ccccc2)(C2CCCC2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
MMP13 P45452 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL6219871 0.93 MGLL (0.38) ALDH1A1SIGMAR1
SCHEMBL3986189 0.89 FFAR1 (0.43) SMN1; SMN2EPHX2MAOB
SCHEMBL3986713 0.87 GAA (0.33) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL5880732 0.87 RAB9A (0.33) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL5880733 0.87 RAB9A (0.33) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL13963704 0.87 RAB9A (0.33) GAAMMP13RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13964063 0.87 RAB9A (0.33) GAAMMP13RAB9ASMN1; SMN2HSD11B1
SCHEMBL5880858 0.86 RAB9A (0.35) GAAMMP13RAB9ASMN1; SMN2
SCHEMBL3993982 0.86 RAB9A (0.38) RAB9ASMN1; SMN2L3MBTL1ALDH1A1CYP2C19
SCHEMBL5880749 0.86 OPRM1 (0.40)

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 7 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-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-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-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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 GAA 320/4885MMP13 1375/4885RAB9A 3785/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT GAA 320/4885MMP13 1375/4885RAB9A 3785/4885
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 GAA 977/4885MMP13 2091/4885RAB9A 3754/4885

“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.