SCHEMBL17483594

SCHEMBL17483594

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 12/20 0.47
▸ CTSK P43235 5/20 0.47
▸ PREP P48147 1/20 0.36
▸ DPP4 P27487 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ HTRA1 Q92743 1/20 0.32
▸ CDK7 P50613 1/20 0.31
▸ CDK13 Q14004 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31
▸ XIAP P98170 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31

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
SCHEMBL16064068 0.96 CTSC (0.53) CTSCCTSKPREPDPP4TLR7
SCHEMBL16064472 0.92 CTSC (0.54) CTSCCTSKPREP
SCHEMBL17485398 0.89 CTSC (0.61) CTSCCTSK
SCHEMBL16064451 0.89 CTSC (0.51) CTSCCTSKPREPDPP4TLR7
SCHEMBL16064233 0.89 CTSC (0.40) CTSCCTSKPREPDPP4TLR7
SCHEMBL16064438 0.87 CTSC (0.52) CTSCCTSKPREPDPP4
SCHEMBL16064452 0.85 CTSC (0.67) CTSCCTSK
SCHEMBL17483595 0.85 CTSC (0.44) CTSCCTSKPREPDPP4TLR7
SCHEMBL21076251 0.83 PREP (0.37) CTSCCTSKPREPDPP4HTRA1
SCHEMBL20384104 0.83 CTSC (0.42) CTSCCTSKPREPDPP4HTRA1

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.

Send feedback