SCHEMBL17485398

SCHEMBL17485398

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(C2=CCN(C3COC3)CC2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.61
▸ CTSK P43235 9/20 0.61

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
SCHEMBL16064452 0.96 CTSC (0.67) CTSCCTSK
SCHEMBL16064152 0.92 CTSC (0.69) CTSCCTSK
SCHEMBL22642872 0.92 CTSC (0.69) CTSCCTSK
SCHEMBL16064289 0.90 CTSC (0.64) CTSCCTSK
SCHEMBL17483594 0.89 CTSC (0.47) CTSCCTSK
SCHEMBL19368417 0.89 CTSC (0.54) CTSCCTSK
SCHEMBL16064515 0.89 CTSC (0.66) CTSCCTSK
SCHEMBL22643167 0.87 CTSC (0.66) CTSCCTSK
SCHEMBL16064153 0.87 CTSC (0.66) CTSCCTSK
SCHEMBL22643178 0.86 CTSC (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 — — EP disclosed
US-9440960-B2 Substituted oxetanes and their use as inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-13 — — US disclosed
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — 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-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C CTSE, CTSC, CTSZ CTSC 2/4885CTSK 10/4885

“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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