SCHEMBL3988007

SCHEMBL3988007

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
CSNK2A1 P68400 2/20 0.34
PDE4A P27815 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE4B Q07343 4/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31
BACE1 P56817 1/20 0.31
P2RX3 P56373 1/20 0.30
TSHR P16473 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
SCHEMBL3988003 0.90 CSNK2A1 (0.40) CSNK2A1MEN1KMT2ALMNAP2RX3
SCHEMBL3988598 0.89 CSNK2A1 (0.31) CSNK2A1P2RX3
SCHEMBL3985509 0.87 MEN1 (0.36) CSNK2A1MEN1MAPTKMT2ALMNA
SCHEMBL3987254 0.85 LMNA (0.34) CSNK2A1MEN1MAPTKMT2ALMNA
SCHEMBL3987162 0.85 HTR2A (0.36) CSNK2A1
SCHEMBL3986080 0.85 HPGD (0.41) PDE4BP2RX3
SCHEMBL3990356 0.85 SLC6A2 (0.38) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL3988552 0.84 DAO (0.35) HCRTR1HCRTR2MEN1MAPTKMT2A
SCHEMBL3987712 0.84 DAO (0.34) KMT2A
SCHEMBL13938934 0.83 TDP1 (0.42) MEN1KMT2ALMNATSHR

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 HCRTR1 2576/4885HCRTR2 4142/4885CSNK2A1 571/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 HCRTR1 2576/4885HCRTR2 4142/4885CSNK2A1 571/4885

“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.