SCHEMBL883369

SCHEMBL883369

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@](C)(Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CTSB P07858 1/20 0.42
PPP3CB P16298 1/20 0.42

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
SCHEMBL10273822 1.00 CYP3A4 (0.45) CYP3A4CTSBPPP3CB
SCHEMBL10273148 0.96 CYP3A4 (0.39) CYP3A4CTSBPPP3CB
SCHEMBL3478948 0.92 CTSS (0.38) CYP3A4CTSBPPP3CB
SCHEMBL883371 0.91 CTSS (0.37) CYP3A4CTSBPPP3CB
SCHEMBL3478916 0.91 CYP3A4 (0.38) CYP3A4CTSBPPP3CB
SCHEMBL883327 0.89 CYP3A4 (0.45) CYP3A4CTSBPPP3CB
SCHEMBL3478956 0.89 CYP3A4 (0.45) CYP3A4CTSBPPP3CB
SCHEMBL10266429 0.88 CYP3A4 (0.44) CYP3A4CTSBPPP3CB
SCHEMBL3478894 0.88 CYP3A4 (0.44) CYP3A4CTSBPPP3CB
SCHEMBL883256 0.88 CYP3A4 (0.44) CYP3A4CTSBPPP3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 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 (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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP CYP3A4 1213/4885CTSB 374/4885PPP3CB 92/4885

“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.