SCHEMBL6832857

SCHEMBL6832857

CCCN1CCC(C#N)(NC(=O)C(CC(C)(C)C)N=c2[nH]c(=O)oc3cc(Cl)ccc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.33
CTSS P25774 9/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 5/20 0.32
OGG1 O15527 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
DRD2 P14416 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
MDM2 Q00987 1/20 0.30

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 0.89 CTSK (0.35) CTSKCTSSCTSLCTSB
SCHEMBL6430414 0.85 CTSL (0.33) CTSKCTSSCTSLCTSBDRD2
SCHEMBL6432598 0.84 CTSK (0.35) CTSKCTSSCTSB
SCHEMBL6832864 0.83 CTSS (0.34) CTSKCTSSCTSLCTSB
SCHEMBL6356473 0.81 CTSL (0.33) CTSKCTSSCTSLCTSB
SCHEMBL6356480 0.81 CTSL (0.33) CTSKCTSSCTSLCTSB
SCHEMBL6836028 0.79 KMT2A (0.41) CTSKCTSSCTSLCTSB
SCHEMBL6346011 0.78 CTSL (0.34) CTSKCTSSCTSLCTSB
SCHEMBL6346009 0.78 CTSL (0.34) CTSKCTSSCTSLCTSB
SCHEMBL6346016 0.78 CTSL (0.34) CTSKCTSSCTSLCTSB

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 CTSK 2/4885CTSS 1/4885CTSL 8/4885

“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.