SCHEMBL4209333

SCHEMBL4209333

CC(=O)CCC1NC(=O)N(C)CCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.42
▸ SCN5A Q14524 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL4209323 1.00 CTSB (0.46) CTSBCTSSSCN5ASCN9A
SCHEMBL4207219 0.93 CTSB (0.47) CTSBCTSSSCN5ASCN9A
SCHEMBL4207206 0.93 CTSB (0.47) CTSBCTSSSCN5ASCN9A
SCHEMBL13929752 0.91 CTSB (0.47) CTSBCTSS
SCHEMBL8087645 0.91 CTSB (0.45) CTSBCTSS
SCHEMBL4187251 0.89 CTSB (0.37) CTSBCTSS
SCHEMBL13929753 0.89 CTSB (0.46) CTSBCTSS
SCHEMBL4187261 0.88 CTSB (0.36) CTSBCTSS
SCHEMBL4221020 0.85 CTSB (0.33) CTSB
SCHEMBL4180941 0.85 CTSB (0.33) CTSB

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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 — — 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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 CTSB 57/4885CTSS 45/4885SCN5A 3841/4885

“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.

Send feedback