SCHEMBL3048029

SCHEMBL3048029

C=C[C@@H]1CC1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)C(CC(=O)N1CCCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.49
CYP3A4 P08684 1/20 0.48
CTSB P07858 1/20 0.47
PPP3CB P16298 1/20 0.47

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
SCHEMBL13222487 1.00 CTSS (0.49) CTSSCYP3A4CTSBPPP3CB
SCHEMBL3048024 1.00 CTSS (0.49) CTSSCYP3A4CTSBPPP3CB
SCHEMBL3044768 0.95 CTSB (0.47) CTSSCYP3A4CTSBPPP3CB
SCHEMBL13222489 0.95 CTSB (0.47) CTSSCYP3A4CTSBPPP3CB
SCHEMBL13222475 0.95 CTSS (0.46) CTSSCYP3A4CTSBPPP3CB
SCHEMBL3037617 0.95 CTSS (0.46) CTSSCYP3A4CTSBPPP3CB
SCHEMBL3037623 0.95 CTSS (0.46) CTSSCYP3A4CTSBPPP3CB
SCHEMBL3047105 0.95 CYP3A4 (0.46) CTSSCYP3A4CTSBPPP3CB
SCHEMBL3047109 0.95 CYP3A4 (0.46) CTSSCYP3A4CTSBPPP3CB
SCHEMBL3047112 0.95 CYP3A4 (0.46) CTSSCYP3A4CTSBPPP3CB

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-8614180-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2013-12-24 US disclosed
US-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-26 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-20100216725-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, O60361 CTSS 2219/4885CYP3A4 1615/4885CTSB 1193/4885

“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.