SCHEMBL21076194

SCHEMBL21076194

CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C[C@H](NC(=O)[C@@H]4[C@H]5CC[C@H](C5)N4C(O)OC(C)(C)C)C(N)=O)c(F)c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.50
▸ CTSK P43235 11/20 0.50

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
SCHEMBL21076275 0.89 CTSC (0.65) CTSCCTSK
SCHEMBL16064439 0.88 CTSC (0.50) CTSCCTSK
SCHEMBL21966468 0.85 CTSC (0.66) CTSCCTSK
SCHEMBL16064134 0.77 CTSC (0.65) CTSCCTSK
SCHEMBL16064069 0.74 CTSC (0.67) CTSCCTSK
SCHEMBL19155323 0.74 CTSC (0.53) CTSCCTSK
SCHEMBL16064231 0.73 CTSC (0.66) CTSCCTSK
SCHEMBL21076274 0.72 CTSC (0.65) CTSCCTSK
SCHEMBL16064560 0.72 CTSC (0.46) CTSCCTSK
SCHEMBL21076242 0.72 CTSC (0.64) CTSCCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190167636-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-06-06 — — 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-20190167636-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ CTSC 1/4885CTSK 21/4885

“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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