SCHEMBL20001763

SCHEMBL20001763

COC(=O)[C@H](CCc1ccc(C#N)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 15/20 0.47
▸ CTSK P43235 13/20 0.47
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ GSTP1 P09211 1/20 0.39
▸ GSTM2 P28161 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL16644981 0.90 CTSS (0.44) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL21945571 0.90 CTSS (0.44) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL29529201 0.84 CTSS (0.45) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL21639080 0.82 PTPN1 (0.50) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL21639081 0.82 PTPN1 (0.50) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL29529139 0.81 CTSS (0.44) CTSSCTSKCTSLCTSB
SCHEMBL19720149 0.78 CTSS (0.46) CTSSCTSKCTSLCTSB
SCHEMBL18920552 0.77 CTSS (0.58) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL16935712 0.77 CTSS (0.58) CTSSCTSKCTSLCTSBPTPN1
SCHEMBL2617261 0.77 CTSS (0.58) CTSSCTSKCTSLCTSBPTPN1

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-3055298-B1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA INC (US) 2020-04-29 — — EP disclosed
US-10442789-B2 Modified amino acids comprising tetrazine functional groups, methods of preparation, and methods of their use SUTRO BIOPHARMA, INC. (US) 2019-10-15 — — US disclosed
US-20180086734-A1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE SUTRO BIOPHARMA, INC. 2018-03-29 — — 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-10442789-B2 Modified amino acids comprising tetrazine functional groups, methods of preparation, and methods of their use DNPEP, SLC1A5, AADAT CTSS 2493/4885CTSK 2069/4885CTSL 1316/4885
US-20180086734-A1 MODIFIED AMINO ACIDS COMPRISING TETRAZINE FUNCTIONAL GROUPS, METHODS OF PREPARATION, AND METHODS OF THEIR USE DNPEP, SLC1A5, AADAT CTSS 2493/4885CTSK 2069/4885CTSL 1316/4885

“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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