SCHEMBL16092885

SCHEMBL16092885

CN1Cc2cc(-c3ccc(C[C@@H](C#N)NC(=O)OC(C)(C)C)cc3)ccc2S1(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 18/20 0.51
▸ CTSK P43235 10/20 0.49
▸ CTSS P25774 2/20 0.44
▸ CTSB P07858 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL16485773 0.88 CTSC (0.49) CTSCCTSKKCNH2
SCHEMBL16064206 0.88 CTSC (0.65) CTSCCTSK
SCHEMBL7876862 0.87 CTSC (0.50) CTSCCTSKKCNH2
SCHEMBL16090814 0.83 CTSC (0.64) CTSCCTSKCTSSCTSB
SCHEMBL16485769 0.80 CTSC (0.61) CTSCCTSKKCNH2
SCHEMBL21013763 0.79 CTSK (0.43) CTSCCTSKCTSSCTSBKCNH2
SCHEMBL2888991 0.79 CTSC (0.70) CTSCCTSKKCNH2
SCHEMBL2891014 0.79 CTSC (0.70) CTSCCTSKKCNH2
SCHEMBL16064952 0.79 CTSC (0.65) CTSCCTSK
SCHEMBL2074389 0.78 CTSC (0.72) CTSCCTSKKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970230-B1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-05-22 — — EP disclosed
US-8889708-B2 Substituted bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 — — US disclosed
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — 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-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CPN1, CPA1 CTSC 1/4885CTSK 22/4885CTSS 7/4885

“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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