SCHEMBL25908024

SCHEMBL25908024

C[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.53
CTSK P43235 8/20 0.51
CTSL P07711 5/20 0.48
CTSS P25774 3/20 0.48
SYK P43405 1/20 0.48
PSMB5 P28074 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
CTSB P07858 2/20 0.47
MMP14 P50281 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
SCHEMBL7408456 0.91 CTSK (0.49) CTSKCTSLCTSSSYKPSMB5
SCHEMBL30902868 0.88 CTSK (0.51) CTSKCTSLCTSSSYKPSMB5
SCHEMBL7904398 0.88 CTSK (0.51) CTSKCTSLCTSSSYKPSMB5
SCHEMBL7397262 0.87 CTSK (0.52) CTSKCTSLCTSSSYKCTSB
SCHEMBL7735268 0.87 CTSK (0.52) CTSKCTSLCTSSSYKCTSB
SCHEMBL8401067 0.87 MMP9 (0.59) MMP9CTSKCTSLCTSSCYP3A4
SCHEMBL6948704 0.87 CTSK (0.58) CTSKCTSLCTSSSYKPSMB5
SCHEMBL30480137 0.86 CTSK (0.60) CTSKCTSLCTSSPSMB5CTSB
SCHEMBL2776833 0.86 PPARA (0.55) CTSKCTSLCTSSSYKCTSB
SCHEMBL13570900 0.86 SYK (0.55) CTSKCTSLCTSSSYKCTSB

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
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate CELGENE CORPORATION (US) 2024-02-27 US disclosed
US-20230234914-A1 PROCESSES FOR THE PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE CELGENE CORPORATION 2023-07-27 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-20230234914-A1 PROCESSES FOR THE PREPARATION OF (S)-TERT-BUTYL 4,5-DIAMINO-5-OXOPENTANOATE UMPS, DHPS, NT5C3B MMP9 3902/4885CTSK 4660/4885CTSL 3896/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B MMP9 3902/4885CTSK 4660/4885CTSL 3896/4885

“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.