SCHEMBL29529216

SCHEMBL29529216

COc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC#N)cnc1C#N

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 16/20 0.46
▸ CTSK P43235 13/20 0.46
▸ CTSB P07858 4/20 0.46
▸ CTSL P07711 3/20 0.46
▸ SYK P43405 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40

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
SCHEMBL31757443 0.92 CTSS (0.47) CTSSCTSKCTSBCTSLSYK
SCHEMBL29528993 0.88 CTSS (0.45) CTSSCTSKCTSBCTSLSYK
SCHEMBL21639303 0.88 ITGA4 (0.51) CTSSCTSKCTSBCTSLSYK
SCHEMBL21639301 0.88 ITGA4 (0.51) CTSSCTSKCTSBCTSLSYK
SCHEMBL29529364 0.87 CTSS (0.47) CTSSCTSKCTSBCTSLSYK
SCHEMBL29529331 0.85 CTSS (0.49) CTSSCTSKCTSBCTSL
SCHEMBL29529462 0.80 CTSS (0.50) CTSSCTSKCTSBCTSL
SCHEMBL31757463 0.80 CTSS (0.46) CTSSCTSKCTSBCTSLSYK
SCHEMBL22828610 0.79 DYRK1A (0.44) CTSSCTSKCTSBCTSLSYK
SCHEMBL31757459 0.79 CTSS (0.47) CTSSCTSKCTSBCTSLSYK

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 CTSS 2496/4885CTSK 1639/4885CTSB 1911/4885

“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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