SCHEMBL29529403

SCHEMBL29529403

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C#N)c(F)c1)C(=O)OCC#N

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
CTSS P25774 16/20 0.53
CTSK P43235 13/20 0.53
CTSB P07858 4/20 0.50
CTSL P07711 2/20 0.48
PTPN1 P18031 2/20 0.44

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
SCHEMBL31757439 0.92 TRPA1 (0.56) TRPA1CTSSCTSKCTSBCTSL
SCHEMBL29919594 0.91 TRPA1 (0.55) TRPA1CTSSCTSKCTSBCTSL
SCHEMBL25152869 0.91 TRPA1 (0.55) TRPA1CTSSCTSKCTSBCTSL
SCHEMBL21639070 0.87 CTSS (0.57) TRPA1CTSSCTSKCTSBCTSL
SCHEMBL21639072 0.87 CTSS (0.57) TRPA1CTSSCTSKCTSBCTSL
SCHEMBL29529102 0.86 CTSS (0.51) TRPA1CTSSCTSKCTSBCTSL
SCHEMBL21689270 0.83 CTSS (0.57) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL21663693 0.83 CTSS (0.57) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL12648001 0.82 TRPA1 (0.51) TRPA1CTSSCTSKCTSBCTSL
SCHEMBL29529364 0.82 CTSS (0.47) TRPA1CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604326-B1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORP (JP) 2026-01-07 EP disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 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-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 TRPA1 135/4885CTSS 2496/4885CTSK 1639/4885

“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.