SCHEMBL3989295

SCHEMBL3989295

O=C1CC(=O)OC(CCc2ccc(O)c(C3CCCC3)c2)(C2CCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.48
BACE1 P56817 1/20 0.48
HSP90AA1 P07900 1/20 0.35
THRB P10828 3/20 0.32
THRA P10827 2/20 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
SCHEMBL3993975 0.87 CA2 (0.34) NUDT1BACE1THRB
SCHEMBL3985048 0.87 NUDT1 (0.35) NUDT1BACE1
SCHEMBL3987129 0.86 BACE1 (0.40) NUDT1BACE1
SCHEMBL3991249 0.86 BACE1 (0.32) NUDT1BACE1
SCHEMBL3992160 0.84 THRA (0.35) NUDT1BACE1THRBTHRA
SCHEMBL3991113 0.84 ATM (0.35) NUDT1BACE1HSP90AA1
SCHEMBL3988069 0.84 ALOX5 (0.39) NUDT1BACE1
SCHEMBL5880732 0.84 RAB9A (0.33)
SCHEMBL5880733 0.84 RAB9A (0.33)
SCHEMBL3993801 0.83 SMN1; SMN2 (0.37)

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-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 NUDT1 237/4885BACE1 2417/4885HSP90AA1 2262/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 NUDT1 237/4885BACE1 2417/4885HSP90AA1 2262/4885

“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.