SCHEMBL8001900

SCHEMBL8001900

C=CCCCCOC(=O)N[C@H](C(=O)N1C[C@H](n2nc(-c3ccccc3)c(-c3cccc(C=C)c3)n2)C[C@H]1C(=O)OC)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.35
KIF11 P52732 1/20 0.33
KCNH2 Q12809 1/20 0.33
VHL P40337 1/20 0.32
MMP2 P08253 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
SCHEMBL13864540 0.84 CYP3A4 (0.35) ELANEKIF11KCNH2VHL
SCHEMBL13864478 0.79 CYP3A4 (0.36) ELANEKIF11KCNH2VHL
SCHEMBL8000832 0.78 NR1H2 (0.40) MMP2
SCHEMBL13703062 0.76 ELANE (0.33) ELANEKIF11KCNH2VHL
SCHEMBL13703340 0.75 SLC6A2 (0.37) MMP2
SCHEMBL13703334 0.75 VHL (0.40) VHLMMP2
SCHEMBL14134734 0.73
SCHEMBL13864551 0.73 CYP3A4 (0.35) ELANE
SCHEMBL3306508 0.73 CYP3A4 (0.40) ELANEKIF11KCNH2VHLMMP2
SCHEMBL7999134 0.73 CYP3A4 (0.42) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8372802-B2 Fluorinated macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8273709-B2 Triazole-containing macrocyclic HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-8273709-B2 Triazole-containing macrocyclic HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-09-24 US disclosed
WO-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed
US-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
WO-2009079353-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-25 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-20090191151-A1 TRIAZOLE-CONTAINING MACROCYCLIC HCV SERINE PROTEASE INHIBITORS TMPRSS4, SPINT2, PRSS1 ELANE 226/4885KIF11 4436/4885KCNH2 4713/4885
US-20090238794-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, SPINT2, CTSV ELANE 247/4885KIF11 3774/4885KCNH2 3942/4885

“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.