SCHEMBL2219366

SCHEMBL2219366

C=C[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](Oc2nc(-c3ccc(OC(C)C)cc3)nc3c2oc2ccccc23)CN1C(=O)[C@@H](N(C(=O)O)C(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50

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
SCHEMBL2220560 0.92 CYP3A4 (0.46) CYP3A4
Hydrochloric Acid SCHEMBL2217829 0.91 CYP3A4 (0.50) CYP3A4
Hydrochloric Acid SCHEMBL2217844 0.91 CYP3A4 (0.50) CYP3A4
SCHEMBL12514320 0.91 CYP3A4 (0.53) CYP3A4
SCHEMBL2221952 0.89 CYP3A4 (0.55) CYP3A4
SCHEMBL2221962 0.89 CYP3A4 (0.55) CYP3A4
SCHEMBL2220969 0.89 CYP3A4 (0.55) CYP3A4
SCHEMBL2220956 0.89 CYP3A4 (0.55) CYP3A4
SCHEMBL12513839 0.88 CYP3A4 (0.52) CYP3A4
SCHEMBL12514306 0.88 CYP3A4 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178107-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-07-21 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-20110178107-A1 HCV PROTEASE INHIBITORS HAVCR2, RNASE1, SERPINB1 CYP3A4 231/4885

“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.