SCHEMBL6493922

SCHEMBL6493922

N#CC1(NC(=O)C(CC2CCCCC2)Nc2nc(=O)oc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.52
CTSL P07711 12/20 0.52
CTSK P43235 4/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CTSB P07858 3/20 0.38

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
SCHEMBL14383686 0.93 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL5366750 0.93 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL5360923 0.91 CTSS (0.44) CTSSCTSLCTSK
SCHEMBL6497579 0.88 CTSS (0.53) CTSSCTSLCTSKCTSB
SCHEMBL6655852 0.84 CTSL (0.54) CTSSCTSLCTSKCTSB
SCHEMBL6345786 0.83 CTSS (0.38) CTSSCTSLCTSKCTSB
SCHEMBL6507459 0.83 CTSS (0.48) CTSSCTSLCTSKCTSB
SCHEMBL6836985 0.83 CTSS (0.40) CTSSCTSLCTSKPOLBHPGD
SCHEMBL6343147 0.82 CTSL (0.37) CTSSCTSLCTSKCTSB
SCHEMBL6356405 0.82 CTSS (0.37) CTSSCTSLCTSKCTSB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936606-B2 Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-30 US claimed
EP-1434769-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-07 EP claimed
US-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2004-04-01 US claimed
WO-2003029200-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-10 WO claimed
US-6936606-B2 Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-30 US disclosed
US-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2004-04-01 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-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSL 8/4885CTSK 2/4885

“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.