SCHEMBL6836674

SCHEMBL6836674

CCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)N=c2[nH]c(=O)oc3ccccc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.35
CTSS P25774 6/20 0.35
CTSB P07858 5/20 0.35
CTSL P07711 7/20 0.34
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6832864 0.93 CTSS (0.34) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL6356473 0.91 CTSL (0.33) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL6356480 0.91 CTSL (0.33) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL6832857 0.89 CTSK (0.33) CTSKCTSSCTSBCTSL
SCHEMBL6346011 0.88 CTSL (0.34) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL6346009 0.88 CTSL (0.34) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL6346016 0.88 CTSL (0.34) CTSKCTSSCTSBCTSLKMT2A
SCHEMBL6348585 0.88 CTSS (0.39) CTSKCTSSCTSBCTSLPOLB
SCHEMBL6348589 0.88 CTSS (0.39) CTSKCTSSCTSBCTSLPOLB
SCHEMBL6348584 0.88 CTSS (0.39) CTSKCTSSCTSBCTSLPOLB

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-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-01-08 US claimed

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-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSK 2/4885CTSS 1/4885CTSB 3/4885

“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.