SCHEMBL3993975

SCHEMBL3993975

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
CYP19A1 P11511 1/20 0.32
P4HB P07237 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE5A O76074 2/20 0.31
ALPG P10696 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
IGF1R P08069 1/20 0.31
ALOX15 P16050 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC2A1 P11166 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CA1 P00915 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
SCHEMBL3990356 0.90 SLC6A2 (0.38) SIGMAR1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3987712 0.87 DAO (0.34) KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3985048 0.87 NUDT1 (0.35) NUDT1BACE1PDE5A
SCHEMBL3989295 0.87 NUDT1 (0.48) NUDT1BACE1THRB
SCHEMBL4465752 0.86 TSHR (0.35) KMT2ASMN1; SMN2
SCHEMBL3987129 0.86 BACE1 (0.40) NUDT1BACE1
SCHEMBL3991249 0.86 BACE1 (0.32) NUDT1BACE1
SCHEMBL5881094 0.85 CCR2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL3985499 0.84 PTGS1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL3992160 0.84 THRA (0.35) NUDT1BACE1THRB

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 CA2 3508/4885NUDT1 237/4885BACE1 2417/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 CA2 3508/4885NUDT1 237/4885BACE1 2417/4885

“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.