SCHEMBL18010293

SCHEMBL18010293

C[C@@H](C#N)NC(=O)[C@@H]1C[C@@H](F)CC[C@H]1c1nc(C(C)(C)C)oc1-c1ccccc1N1CCS(=N)(=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.32

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
SCHEMBL18010301 0.93 CTSK (0.31) CTSK
SCHEMBL16635884 0.88 CTSK (0.33) CTSK
SCHEMBL18010308 0.87 CTSK (0.38) CTSK
SCHEMBL18010303 0.86 CTSK (0.32) CTSK
SCHEMBL16636382 0.82 CTSK (0.38) CTSK
SCHEMBL16635928 0.81 CTSK (0.32) CTSK
SCHEMBL16636381 0.80 PRKD1 (0.33) CTSK
SCHEMBL16636365 0.80 CTSK (0.33) CTSK
SCHEMBL18010284 0.80 CTSK (0.38) CTSK
SCHEMBL16635887 0.77 PRKD1 (0.33) CTSK

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-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885

“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.