SCHEMBL3985175

SCHEMBL3985175

O=C(CCc1ccc(OC(F)F)c(Cl)c1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.42
PDE4B Q07343 8/20 0.42
PDE4C Q08493 8/20 0.42
PDE4D Q08499 8/20 0.42
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CSNK2A1 P68400 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.39
MDM2 Q00987 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3988021 0.88 CSNK2A1 (0.50) MEN1MAPTKMT2ALMNACSNK2A1
SCHEMBL3987889 0.84 OPRD1 (0.50) MEN1MAPTKMT2AALDH1A1TSHR
SCHEMBL3988482 0.81 HPGD (0.48) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL5880935 0.80 PYGL (0.49)
SCHEMBL3990501 0.79 FFAR4 (0.50) MEN1MAPTKMT2AHTTXBP1
SCHEMBL3984957 0.78 PTGDR (0.51) MEN1MAPTKMT2ALMNAHTT
SCHEMBL3987933 0.78 CA2 (0.47) KMT2A
SCHEMBL3985390 0.76 KMT2A (0.40) MEN1KMT2ALMNAALDH1A1CSNK2A1
SCHEMBL3988583 0.76 S1PR1 (0.43) MEN1KMT2AL3MBTL1S1PR3
SCHEMBL3987652 0.74 CCR5 (0.38) MEN1KMT2AALDH1A1RAB9A

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 PDE4A 1573/4885PDE4B 2136/4885PDE4C 1665/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 PDE4A 1573/4885PDE4B 2136/4885PDE4C 1665/4885

“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.