SCHEMBL6104792

SCHEMBL6104792

CC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C2CCCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.59
CTSL P07711 2/20 0.59
CTSB P07858 7/20 0.56
CTSK P43235 7/20 0.56

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
SCHEMBL14383639 0.94 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL6106562 0.94 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL6105697 0.93 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL6108509 0.93 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL6107757 0.90 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL6108934 0.88 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL6973481 0.87 CTSS (0.52) CTSSCTSLCTSBCTSK
SCHEMBL6110213 0.86 CTSS (0.79) CTSSCTSL
SCHEMBL6107528 0.86 CTSS (0.79) CTSSCTSL
SCHEMBL6108269 0.86 CTSS (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982272-B2 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US disclosed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 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-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSL 9/4885CTSB 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.