SCHEMBL3985193

SCHEMBL3985193

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nnnn3C)C(=O)O2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 6/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
PDE5A O76074 2/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D2 Q6PH85 1/20 0.32
DCUN1D4 Q92564 1/20 0.32
DCUN1D5 Q9BTE7 1/20 0.32
LMNA P02545 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
SCHEMBL3993895 0.91 ALDH1A1 (0.39) ALDH1A1CASP1HSD17B10GAACYP1A2
SCHEMBL3987398 0.89 MAPT (0.34) MAPTALDH1A1CASP1HSD17B10GAA
SCHEMBL3994178 0.88 DRD1 (0.33) ALDH1A1GAATP53PDE5ALMNA
SCHEMBL3988977 0.88 KMT2A (0.34) MAPTPOLBALDH1A1HSD17B10GAA
SCHEMBL3987990 0.87 ALDH1A1 (0.35) ALDH1A1PDE5A
SCHEMBL3987142 0.87 NTRK1 (0.37) MAPTPOLBALDH1A1GAAPDE5A
SCHEMBL3990626 0.87 ALDH1A1 (0.36) POLBALDH1A1TP53PDE5ALMNA
SCHEMBL3993880 0.86 EP300 (0.35) POLBALDH1A1HSD17B10PDE5A
SCHEMBL3988334 0.85 NPC1 (0.34) POLBALDH1A1GAAPDE5A
SCHEMBL3991161 0.85 PDE5A (0.31) ALDH1A1HSD17B10PDE5A

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 MAPT 3475/4885POLB 159/4885HTT 4504/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 MAPT 3475/4885POLB 159/4885HTT 4504/4885

“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.