SCHEMBL3986220

SCHEMBL3986220

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4cc(Cl)c(F)cc4[nH]3)C(=O)O2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.38
NPY5R Q15761 1/20 0.32
POLB P06746 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
ENPP1 P22413 1/20 0.31
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30
FOXO1 Q12778 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE5A O76074 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
SCHEMBL3994132 0.92 FOXO1 (0.32) POLBFOXO1PDE5A
SCHEMBL3993797 0.91 POLB (0.35) POLBFOXO1ALDH1A1SMN1; SMN2PDE5A
SCHEMBL5880717 0.91 FOXO1 (0.38) POLBFOXO1ALDH1A1SMN1; SMN2
SCHEMBL3990566 0.90 KMT2A (0.34) FOXO1ALDH1A1SMN1; SMN2PDE5A
SCHEMBL3991111 0.88 PDE5A (0.35) PDE5A
SCHEMBL3985400 0.88 SMN1; SMN2 (0.37) POLBENPP1FOXO1ALDH1A1SMN1; SMN2
SCHEMBL3993723 0.87 HTT (0.36) POLBFOXO1ALDH1A1SMN1; SMN2PDE5A
SCHEMBL3988404 0.86 AURKA (0.33) FOXO1SMN1; SMN2PDE5A
SCHEMBL3988208 0.85 GAA (0.34) FOXO1ALDH1A1SMN1; SMN2PDE5A
SCHEMBL3988984 0.85 POLB (0.38) POLBENPP1ALDH1A1SMN1; SMN2

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 TXN 2614/4885NPY5R 4093/4885POLB 159/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 TXN 2614/4885NPY5R 4093/4885POLB 159/4885

“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.