SCHEMBL6504055

SCHEMBL6504055

CC(=O)N=C(NC(CC1CCCCC1)C(=O)NC(C)(C#N)OCc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.48
CTSL P07711 7/20 0.48
CTSB P07858 6/20 0.48
CTSK P43235 4/20 0.48
USP30 Q70CQ3 1/20 0.41
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39

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
SCHEMBL6494159 0.76 CTSS (0.42) CTSSCTSLCTSBCTSKMMP1
SCHEMBL6503663 0.73 CTSS (0.43) CTSSCTSLCTSBCTSK
SCHEMBL3898182 0.73 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL3895788 0.72 CTSS (0.44) CTSSCTSLCTSBCTSK
SCHEMBL5372532 0.72 CTSS (0.59) CTSSCTSLCTSBCTSK
SCHEMBL5372520 0.72 CTSS (0.59) CTSSCTSLCTSBCTSK
SCHEMBL14383657 0.72 CTSS (0.59) CTSSCTSLCTSBCTSK
SCHEMBL7004000 0.72 CTSS (0.50) CTSSCTSLCTSBCTSKUSP30
SCHEMBL3896664 0.71 METAP2 (0.37) CTSSCTSLCTSBCTSK
SCHEMBL5758379 0.71 CTSS (0.66) CTSSCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1434769-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-07 EP disclosed
US-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2004-04-01 US disclosed
WO-2003029200-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-10 WO 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 8/4885CTSB 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.