SCHEMBL3989266

SCHEMBL3989266

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(CCO)c(F)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
POLB P06746 5/20 0.34
ALDH1A1 P00352 3/20 0.33
PDE2A O00408 2/20 0.32
RECQL P46063 1/20 0.32
PDE10A Q9Y233 3/20 0.32
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 2/20 0.31
ATM Q13315 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL3988141 0.91 TSHR (0.38) TSHRPOLBALDH1A1PDE2ARECQL
SCHEMBL4475041 0.90 POLB (0.35) TSHRPOLBALDH1A1PDE2ARECQL
SCHEMBL4468003 0.89 TSHR (0.38) TSHRPOLBALDH1A1PDE2ARECQL
SCHEMBL13939487 0.89 POLB (0.39) TSHRPOLBPDE2ARECQLTP53
SCHEMBL13627196 0.89 POLB (0.35) TSHRPOLBALDH1A1PDE2ARECQL
SCHEMBL3987877 0.89 TSHR (0.36) TSHRPOLBALDH1A1PDE2ARECQL
SCHEMBL4103728 0.89 ALDH1A1 (0.46) TSHRPOLBALDH1A1PDE2ARECQL
SCHEMBL4467311 0.88 TSHR (0.37) TSHRPOLBALDH1A1RECQLPDE10A
SCHEMBL3993506 0.88 TSHR (0.35) TSHRPOLBALDH1A1PDE2ARECQL
SCHEMBL3990510 0.88 TSHR (0.35) TSHRPOLBALDH1A1PDE2ARECQL

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 TSHR 3884/4885POLB 159/4885ALDH1A1 322/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 TSHR 3884/4885POLB 159/4885ALDH1A1 322/4885

“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.