SCHEMBL5880955

SCHEMBL5880955

O=C1CC(=O)OC(CCc2ccc(OC3CCCC3)c(F)c2)(C2CCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.33
PDE4A P27815 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
CSNK2A1 P68400 2/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
P2RX3 P56373 4/20 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
SCHEMBL5880768 0.99 PDE4B (0.33) PDE4BPDE4APDE4CPDE4DCSNK2A1
SCHEMBL3987522 0.89 LMNA (0.38)
SCHEMBL3989150 0.87 SLC5A2 (0.35)
SCHEMBL3988565 0.86 P2RX3 (0.36) P2RX3
SCHEMBL3988310 0.86 PDE4B (0.34) PDE4B
SCHEMBL5880939 0.86 ALDH1A1 (0.35)
SCHEMBL5880753 0.85 MEN1 (0.33) PDE4BPDE4DP2RX3
SCHEMBL5880796 0.85 HTR2A (0.39) P2RX3
SCHEMBL3988490 0.85
SCHEMBL3985263 0.84 PTGS1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 PDE4B 2179/4885PDE4A 1573/4885PDE4C 1618/4885

“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.