SCHEMBL3988320

SCHEMBL3988320

Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(OCC5CC5)c(F)c4)(C4CCCC4)OC3=O)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.34
POLB P06746 3/20 0.33
RAB9A P51151 1/20 0.32
PDE2A O00408 2/20 0.32
PDE4B Q07343 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR4 P46093 1/20 0.31
TP53 P04637 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
ATM Q13315 1/20 0.31
PDE10A Q9Y233 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 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
SCHEMBL3988809 0.93 ALDH1A1 (0.38) ALDH1A1TSHRPOLBRAB9APDE2A
SCHEMBL3988107 0.92 HPGD (0.36) TSHRPOLBKMT2ATP53
SCHEMBL4103728 0.92 ALDH1A1 (0.46) ALDH1A1TSHRPOLBPDE2AKMT2A
SCHEMBL3988323 0.91 ALDH1A1 (0.36) ALDH1A1TSHRPOLBRAB9APDE2A
SCHEMBL3987651 0.90 ALDH1A1 (0.38) ALDH1A1TSHRPOLB
SCHEMBL3988141 0.89 TSHR (0.38) ALDH1A1TSHRPOLBPDE2AKMT2A
SCHEMBL4468003 0.87 TSHR (0.38) ALDH1A1TSHRPOLBPDE2AKMT2A
SCHEMBL13939487 0.87 POLB (0.39) TSHRPOLBPDE2ATP53
SCHEMBL3989266 0.86 TSHR (0.36) ALDH1A1TSHRPOLBPDE2ATP53
SCHEMBL3987877 0.86 TSHR (0.36) ALDH1A1TSHRPOLBPDE2ATP53

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