SCHEMBL6507459

SCHEMBL6507459

CC(C)(C#N)NC(=O)C(CC1CCCCC1)Nc1nc(=O)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.48
CTSL P07711 9/20 0.40
CTSK P43235 4/20 0.40
CTSB P07858 3/20 0.40
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6503663 0.87 CTSS (0.43) CTSSCTSLCTSKCTSB
SCHEMBL6493922 0.83 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL5366750 0.80 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL14383686 0.80 CTSS (0.53) CTSSCTSLCTSK
SCHEMBL5626269 0.78 CTSS (0.39) CTSSCTSLCTSKCTSBLMNA
SCHEMBL5626241 0.78 CTSS (0.39) CTSSCTSLCTSKCTSBLMNA
SCHEMBL6503666 0.78 CTSS (0.61) CTSSCTSLCTSKCTSB
SCHEMBL5360923 0.77 CTSS (0.44) CTSSCTSLCTSK
SCHEMBL6836985 0.74 CTSS (0.40) CTSSCTSLCTSKCTSB
SCHEMBL6356405 0.73 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 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 8/4885CTSK 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.