SCHEMBL883256

SCHEMBL883256

C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1[C@@H](C)[C@@H](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 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CTSB P07858 1/20 0.42
PPP3CB P16298 1/20 0.42
CTSS P25774 1/20 0.37

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
SCHEMBL10266429 1.00 CYP3A4 (0.44) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478868 1.00 CYP3A4 (0.44) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478894 1.00 CYP3A4 (0.44) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478907 0.94 CYP3A4 (0.38) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478883 0.93 CYP3A4 (0.52) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478892 0.92 CTSS (0.39) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3431431 0.92 CTSS (0.39) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478904 0.91 CYP3A4 (0.37) CYP3A4CTSBPPP3CBCTSS
SCHEMBL10265789 0.91 CYP3A4 (0.37) CYP3A4CTSBPPP3CBCTSS
SCHEMBL3478896 0.91 CTSS (0.39) CYP3A4CTSBPPP3CBCTSS

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.