SCHEMBL12445448

SCHEMBL12445448

C[C@@H](CC1CCCCC1)C(=O)OC(C(=O)NC(C)(C)CC(C)(C)C)[C@@H](C)COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.42
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSK P43235 1/20 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
SCHEMBL2229423 0.77 CTSS (0.44) CTSSCTSLCTSB
SCHEMBL2229700 0.71 CTSS (0.65) CTSSCTSLCTSBCTSK
SCHEMBL2228715 0.69 CTSS (0.73) CTSSCTSLCTSB
SCHEMBL2228255 0.69 CTSS (0.73) CTSSCTSLCTSB
SCHEMBL19817504 0.66 SLC1A1 (0.55) CTSSCTSLCTSBCTSK
SCHEMBL19817505 0.66 SLC1A1 (0.55) CTSSCTSLCTSBCTSK
SCHEMBL18484547 0.66 ALDH1A1 (0.50) CTSSCTSLCTSBCTSK
SCHEMBL12445444 0.66 CTSS (0.49) CTSSCTSLCTSK
SCHEMBL7334064 0.65 REN (0.57)
SCHEMBL8116438 0.65 CA1 (0.55) CTSSCTSLCTSB

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-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 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-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB CTSS 1/4885CTSL 10/4885CTSB 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.