SCHEMBL3988208

SCHEMBL3988208

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4c(C)cccc4[nH]3)C(=O)O2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AURKA O14965 2/20 0.32
AURKB Q96GD4 2/20 0.32
INCENP Q9NQS7 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
CYP3A4 P08684 1/20 0.31
FOXO1 Q12778 1/20 0.31
PDE5A O76074 2/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3988404 0.94 AURKA (0.33) AURKAAURKBINCENPHCRTR1HCRTR2
SCHEMBL5880717 0.90 FOXO1 (0.38) GAAALDH1A1TDP1FOXO1MAPT
SCHEMBL3988984 0.89 POLB (0.38) GAAALDH1A1AURKAAURKBMAPT
SCHEMBL3990566 0.88 KMT2A (0.34) ALDH1A1TDP1HCRTR1HCRTR2FOXO1
SCHEMBL3993797 0.87 POLB (0.35) ALDH1A1TDP1CYP3A4FOXO1PDE5A
SCHEMBL3986220 0.85 TXN (0.38) ALDH1A1FOXO1PDE5ASMN1; SMN2
SCHEMBL3985400 0.85 SMN1; SMN2 (0.37) ALDH1A1TDP1FOXO1PDE5AMAPT
SCHEMBL3994132 0.85 FOXO1 (0.32) FOXO1PDE5AMAPT
SCHEMBL3991111 0.84 PDE5A (0.35) PDE5A
SCHEMBL3993723 0.84 HTT (0.36) GAAALDH1A1NPSR1CYP3A4FOXO1

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 6 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
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

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 GAA 536/4885MGAM 3083/4885SI 799/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 GAA 536/4885MGAM 3083/4885SI 799/4885

“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.