SCHEMBL3478890

SCHEMBL3478890

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
CTSB P07858 1/20 0.37
PPP3CB P16298 1/20 0.37
CYP3A4 P08684 1/20 0.34

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
SCHEMBL3478896 1.00 CTSS (0.39) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3502854 1.00 CTSS (0.39) CTSSCTSBPPP3CBCYP3A4
SCHEMBL10268847 1.00 CTSS (0.39) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3478932 0.93 CTSS (0.46) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3478892 0.92 CTSS (0.39) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3431431 0.92 CTSS (0.39) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3478894 0.91 CYP3A4 (0.44) CTSSCTSBPPP3CBCYP3A4
SCHEMBL883256 0.91 CYP3A4 (0.44) CTSSCTSBPPP3CBCYP3A4
SCHEMBL10266429 0.91 CYP3A4 (0.44) CTSSCTSBPPP3CBCYP3A4
SCHEMBL3478868 0.91 CYP3A4 (0.44) CTSSCTSBPPP3CBCYP3A4

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP CTSS 1768/4885CTSB 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.