SCHEMBL6832864

SCHEMBL6832864

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.34
CTSK P43235 5/20 0.34
CTSB P07858 3/20 0.34
KMT2A Q03164 1/20 0.33
CTSL P07711 7/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6836674 0.93 CTSK (0.35) CTSSCTSKCTSBKMT2ACTSL
SCHEMBL6430414 0.90 CTSL (0.33) CTSSCTSKCTSBCTSL
SCHEMBL6348585 0.89 CTSS (0.39) CTSSCTSKCTSBCTSLPOLB
SCHEMBL6348589 0.89 CTSS (0.39) CTSSCTSKCTSBCTSLPOLB
SCHEMBL6348584 0.89 CTSS (0.39) CTSSCTSKCTSBCTSLPOLB
SCHEMBL6356473 0.89 CTSL (0.33) CTSSCTSKCTSBKMT2ACTSL
SCHEMBL6356480 0.89 CTSL (0.33) CTSSCTSKCTSBKMT2ACTSL
SCHEMBL6432598 0.89 CTSK (0.35) CTSSCTSKCTSB
SCHEMBL6346016 0.86 CTSL (0.34) CTSSCTSKCTSBKMT2ACTSL
SCHEMBL6346011 0.86 CTSL (0.34) CTSSCTSKCTSBKMT2ACTSL

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 CTSS 1/4885CTSK 2/4885CTSB 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.