SCHEMBL3994178

SCHEMBL3994178

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nnc(C)n3C)C(=O)O2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.33
DRD5 P21918 3/20 0.33
NPC1 O15118 1/20 0.32
PDE5A O76074 5/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
OPRD1 P41143 1/20 0.31
GAA P10253 1/20 0.31
PDE4B Q07343 1/20 0.31
LDHA P00338 1/20 0.31
THRB P10828 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BRD4 O60885 1/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 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
SCHEMBL3988334 0.90 NPC1 (0.34) DRD1NPC1PDE5AOPRD1GAA
SCHEMBL3987953 0.90 ALDH1A1 (0.40) KMT2ALMNATP53ALDH1A1
SCHEMBL3987969 0.89 OPRD1 (0.32) DRD1DRD5NPC1PDE5AKMT2A
SCHEMBL3993819 0.89 GAA (0.30) GAA
SCHEMBL13939747 0.88 ALDH1A1 (0.40) LMNAGAATHRBALDH1A1
SCHEMBL3988977 0.88 KMT2A (0.34) PDE5AKMT2ALMNATP53OPRD1
SCHEMBL3985193 0.88 MAPT (0.37) PDE5ALMNATP53GAAALDH1A1
SCHEMBL3987990 0.87 ALDH1A1 (0.35) DRD1DRD5PDE5AALDH1A1BRD4
SCHEMBL3992344 0.87 PDE5A (0.33) PDE5AOPRD1LDHAALDH1A1
SCHEMBL3987142 0.87 NTRK1 (0.37) DRD1DRD5PDE5AKMT2ALMNA

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 DRD1 3954/4885DRD5 4532/4885NPC1 110/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 DRD1 3954/4885DRD5 4532/4885NPC1 110/4885

“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.