SCHEMBL16367098

SCHEMBL16367098

CC(C)(C)OC(=O)N[C@H](C#N)Cc1ccc(-c2ccc(C#N)c([SH](=O)=O)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 16/20 0.47
▸ CTSK P43235 14/20 0.47
▸ TRPA1 O75762 1/20 0.44
▸ CTSS P25774 3/20 0.43
▸ CTSB P07858 1/20 0.41

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
SCHEMBL24982366 0.86 CTSC (0.48) CTSCCTSKTRPA1CTSSCTSB
SCHEMBL16064851 0.85 CTSC (0.63) CTSCCTSK
SCHEMBL30738857 0.84 CTSK (0.49) CTSCCTSKCTSSCTSB
SCHEMBL24981572 0.84 CTSC (0.52) CTSCCTSK
SCHEMBL16064039 0.83 CTSC (0.63) CTSCCTSKCTSB
SCHEMBL22046325 0.81 CTSC (0.58) CTSCCTSKTRPA1CTSSCTSB
SCHEMBL12383142 0.81 CTSC (0.58) CTSCCTSKTRPA1CTSSCTSB
SCHEMBL24981995 0.80 CTSC (0.59) CTSCCTSKCTSSCTSB
SCHEMBL24982011 0.80 CTSK (0.46) CTSCCTSKCTSSCTSB
SCHEMBL16064465 0.80 CTSC (0.63) CTSCCTSKCTSS

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-9073869-B2 Method of using substituted 2-Aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-20140378504-A1 METHOD OF USING SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-25 — — 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-20140378504-A1 METHOD OF USING SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSZ, CTSB CTSC 1/4885CTSK 11/4885TRPA1 3799/4885

“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.

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