SCHEMBL6836025

SCHEMBL6836025

CCCN1CCCCC(C#N)(NC(=O)C(CC(C)(C)C)Nc2nc(=O)oc3ccccc23)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
CTSS P25774 9/20 0.34
CTSB P07858 7/20 0.34
CTSK P43235 7/20 0.34
CTSL P07711 5/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6836868 0.93 CTSL (0.36) HPGDPOLBCTSSCTSBCTSK
SCHEMBL7685576 0.91 CTSL (0.38) CTSSCTSBCTSKCTSL
SCHEMBL6837095 0.87 CTSL (0.37) CTSSCTSBCTSKCTSL
SCHEMBL6832858 0.86 CTSL (0.37) CTSSCTSBCTSKCTSLALDH1A1
SCHEMBL6832872 0.86 CTSL (0.39) CTSSCTSBCTSKCTSL
SCHEMBL6836041 0.85 CTSS (0.42) CTSSCTSBCTSKCTSL
SCHEMBL6836712 0.85 CTSL (0.38) HPGDPOLBCTSSCTSBCTSK
SCHEMBL6836731 0.84 CTSL (0.39) CTSSCTSBCTSKCTSL
SCHEMBL6346166 0.83 CTSS (0.36) HPGDPOLBCTSSCTSBCTSK
SCHEMBL6836067 0.83 CTSK (0.39) CTSSCTSBCTSKCTSL

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 HPGD 1053/4885POLB 2468/4885CTSS 1/4885

“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.