SCHEMBL21639375

SCHEMBL21639375

CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1C#N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 15/20 0.53
▸ CTSK P43235 14/20 0.53
▸ PTPN1 P18031 2/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSB P07858 2/20 0.49
▸ ACE P12821 1/20 0.47
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ EGLN2 Q96KS0 1/20 0.45

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
SCHEMBL21639376 1.00 CTSS (0.53) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL29529129 0.91 CTSS (0.50) CTSSCTSKCTSLCTSB
SCHEMBL29529488 0.87 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL21639185 0.83 PTPN1 (0.57) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL21639182 0.83 PTPN1 (0.57) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL3812344 0.81 CTSS (0.60) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL29842925 0.81 CTSS (0.60) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL17912348 0.81 CTSS (0.60) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL29907919 0.81 CTSS (0.60) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL3812341 0.81 CTSS (0.60) CTSSCTSKPTPN1CTSLCTSB

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
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
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 — — US disclosed
EP-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 — — EP 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 CTSS 2496/4885CTSK 1639/4885PTPN1 1236/4885
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 1639/4885PTPN1 1236/4885

“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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