SCHEMBL17483609

SCHEMBL17483609

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](Cc1ccc(C2CC3CN(C4COC4)CC3C2)cc1F)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 16/20 0.39
▸ CTSK P43235 8/20 0.38
▸ PREP P48147 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ HTRA1 Q92743 1/20 0.34
▸ SCN9A Q15858 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
SCHEMBL20384063 1.00 CTSC (0.39) CTSCCTSKPREPDPP4HTRA1
SCHEMBL17483611 0.93 CTSC (0.42) CTSCCTSKPREPDPP4HTRA1
SCHEMBL20384104 0.93 CTSC (0.42) CTSCCTSKPREPDPP4HTRA1
SCHEMBL17483595 0.93 CTSC (0.44) CTSCCTSKPREPDPP4HTRA1
SCHEMBL17483565 0.92 CTSC (0.47) CTSCCTSKPREPDPP4HTRA1
SCHEMBL17483541 0.89 CTSC (0.40) CTSCCTSKPREP
SCHEMBL17483614 0.89 PREP (0.38) CTSCCTSKPREPDPP4HTRA1
SCHEMBL20384089 0.89 PREP (0.38) CTSCCTSKPREPDPP4HTRA1
SCHEMBL16064044 0.89 CTSC (0.51) CTSCCTSKPREPDPP4
SCHEMBL20384037 0.88 CTSC (0.52) 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 4 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
WO-2016016242-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — WO 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 10/4885PREP 14/4885

“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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