SCHEMBL3987906

SCHEMBL3987906

CCc1ccc(OC)c(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KMT2A Q03164 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL3991271 0.95 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRGAAPDE10A
SCHEMBL3988326 0.93 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TSHRGAAPDE10A
SCHEMBL3985204 0.91 TSHR (0.38) ALDH1A1TSHRPDE10ATP53RECQL
SCHEMBL4470160 0.91 PDE10A (0.35) ALDH1A1SMN1; SMN2TSHRPDE10AKMT2A
SCHEMBL3993188 0.90 PDE10A (0.34) ALDH1A1SMN1; SMN2TSHRPDE10AKMT2A
SCHEMBL13939469 0.89 TSHR (0.37) ALDH1A1SMN1; SMN2TSHRGAAPDE10A
SCHEMBL4469047 0.89 TSHR (0.34) ALDH1A1TSHRPDE10ATP53RECQL
SCHEMBL3986424 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRPDE10AKMT2A
SCHEMBL3985436 0.89 PDE10A (0.34) ALDH1A1SMN1; SMN2TSHRPDE10AKMT2A
SCHEMBL1581420 0.88 PDE10A (0.33) ALDH1A1SMN1; SMN2TSHRPDE10AKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 322/4885SMN1; SMN2 3095/4885TSHR 3884/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 ALDH1A1 322/4885SMN1; SMN2 3095/4885TSHR 3884/4885

“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.