SCHEMBL3988069

SCHEMBL3988069

CCCc1cc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
BACE1 P56817 3/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NUDT1 P36639 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
IAPP P10997 1/20 0.30
CTSD P07339 1/20 0.30
HSD17B1 P14061 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
SCHEMBL3987129 0.94 BACE1 (0.40) ALOX5BACE1NUDT1
SCHEMBL3988443 0.91 BACE1 (0.34) BACE1GABRA1GABRB2
SCHEMBL3991249 0.90 BACE1 (0.32) BACE1NUDT1
SCHEMBL3988038 0.88 BACE1 (0.30) BACE1NUDT1
SCHEMBL3987922 0.86 NUDT1 (0.30) BACE1NUDT1
SCHEMBL4469301 0.84
SCHEMBL3985048 0.84 NUDT1 (0.35) BACE1NUDT1
SCHEMBL3989295 0.84 NUDT1 (0.48) BACE1NUDT1
SCHEMBL3993975 0.84 CA2 (0.34) BACE1NUDT1
SCHEMBL3986389 0.84

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 ALOX5 3344/4885BACE1 2417/4885CNR1 984/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 ALOX5 3344/4885BACE1 2417/4885CNR1 984/4885

“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.