SCHEMBL19858727

SCHEMBL19858727

CC(C)(C)OC(=O)NC(C#N)Cc1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.52
▸ CTSK P43235 9/20 0.52
▸ CTSB P07858 4/20 0.52
▸ AAK1 Q2M2I8 7/20 0.50
▸ CTSL P07711 2/20 0.42
▸ TRPA1 O75762 1/20 0.42

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
SCHEMBL16064303 1.00 CTSS (0.52) CTSSCTSKCTSBAAK1CTSL
SCHEMBL19154996 0.87 CTSS (0.52) CTSSCTSKCTSBCTSLTRPA1
SCHEMBL31757716 0.86 CTSL (0.52) CTSSCTSKCTSBCTSLTRPA1
SCHEMBL16064145 0.86 CTSK (0.51) CTSSCTSKCTSBCTSLTRPA1
SCHEMBL24981989 0.85 CTSS (0.51) CTSSCTSKCTSBAAK1CTSL
SCHEMBL28989469 0.85 CTSS (0.51) CTSSCTSKCTSBAAK1CTSL
SCHEMBL24981565 0.84 CTSS (0.45) CTSSCTSKCTSBAAK1CTSL
SCHEMBL30738857 0.83 CTSK (0.49) CTSSCTSKCTSBCTSL
SCHEMBL16064072 0.81 CTSS (0.53) CTSSCTSKCTSBAAK1
SCHEMBL16447830 0.81 CTSS (0.53) CTSSCTSKCTSBAAK1

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-3265452-B1 PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS Neuprozyme Therapeutics ApS (DK) 2020-03-04 — — EP disclosed
US-10479781-B2 Peptidyl nitril compounds as dipeptidyl peptidase I inhibitors Neuprozyme Therapeutics ApS (DK) 2019-11-19 — — US disclosed
US-20180044328-A1 PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS PROZYMEX A/S (DK) 2018-02-15 — — 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 (2 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-10479781-B2 Peptidyl nitril compounds as dipeptidyl peptidase I inhibitors DPP4, DPP3, DPP8 CTSS 444/4885CTSK 261/4885CTSB 184/4885
US-20180044328-A1 PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS DPP4, DPP3, DPP8 CTSS 326/4885CTSK 237/4885CTSB 185/4885

“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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