SCHEMBL8005804

SCHEMBL8005804

C=CCCc1nnc(N[C@H](C(=O)N2CC(Oc3nc4ccccc4nc3-c3cccc(C=C)c3)C[C@H]2C(=O)OC)C(C)(C)C)o1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 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
SCHEMBL10260967 1.00 CYP3A4 (0.30) CYP3A4
SCHEMBL10262371 0.86 CTSB (0.32) CYP3A4
SCHEMBL10261100 0.86 CTSB (0.32) CYP3A4
SCHEMBL13864478 0.84 CYP3A4 (0.36) CYP3A4
SCHEMBL10261079 0.83 CYP3A4 (0.34) CYP3A4
SCHEMBL10261387 0.83 CYP3A4 (0.34) CYP3A4
SCHEMBL8014416 0.82 CYP3A4 (0.33) CYP3A4
SCHEMBL8010213 0.82 CYP3A4 (0.33) CYP3A4
SCHEMBL13864540 0.82 CYP3A4 (0.35) CYP3A4
SCHEMBL7999134 0.82 CYP3A4 (0.42) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211891-B2 Difluoromethyl-containing macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
WO-2009134987-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-11-05 US 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 (1 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-20090274657-A1 DIFLUOROMETHYL-CONTAINING MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, DPP4, SPINT2 CYP3A4 12/4885

“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.