SCHEMBL6497912

SCHEMBL6497912

CCC(C)(C)CC[C@H](NC(=O)OOC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.35
CTSS P25774 3/20 0.35
GRN P28799 3/20 0.35
SORT1 Q99523 3/20 0.35
FOLH1 Q04609 7/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
ACE P12821 1/20 0.31

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
SCHEMBL4835405 0.85 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4835423 0.85 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4837541 0.85 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL29683039 0.82 CTSK (0.50) CTSKCTSS
SCHEMBL9257529 0.81 CTSK (0.45) CTSKCTSSGRNSORT1MEN1
SCHEMBL6193659 0.77 CTSK (0.42) CTSKCTSS
SCHEMBL14589035 0.77 CTSK (0.42) CTSKCTSS
SCHEMBL4836398 0.75 CTSK (0.45) CTSKCTSS
SCHEMBL4407907 0.73 SIRT2 (0.53) CTSKCTSSPPARAPPARG
SCHEMBL14567484 0.73 SIRT2 (0.53) CTSKCTSSPPARAPPARG

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 2 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 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 CTSK 2/4885CTSS 1/4885GRN 2557/4885

“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.