SCHEMBL25907904

SCHEMBL25907904

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CTSK P43235 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.48
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CASR P41180 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CTSS P25774 1/20 0.43

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
SCHEMBL25907902 0.82 POLB (0.60) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL25908024 0.80 MMP9 (0.53) CTSKMMP9CTSS
SCHEMBL28553978 0.79 POLB (0.57) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL28970083 0.78 CNR1 (0.45) CTSKCASRCTSS
SCHEMBL4331889 0.78 CA12 (0.49) MEN1KMT2ACTSKL3MBTL1MAPT
SCHEMBL25695969 0.76 NAALAD2 (0.41) CTSKCTSS
SCHEMBL28022209 0.76 RIPK1 (0.57) CTSKCTSS
SCHEMBL7405567 0.75 CTSK (0.43) MEN1KMT2ACTSKMAPTALDH1A1
SCHEMBL12203593 0.75 CTSK (0.62) MEN1KMT2ACTSKMAPTALDH1A1
SCHEMBL6346030 0.75 CTSK (0.62) MEN1KMT2ACTSKMAPTALDH1A1

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 POLB 27/4885CTDSP1 57/4885MEN1 4232/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B POLB 27/4885CTDSP1 57/4885MEN1 4232/4885

“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.