SCHEMBL25907972

SCHEMBL25907972

CC(C)(C)OC(=O)CCC(N)C#N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.34
CTSS P25774 7/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2D6 P10635 2/20 0.32
NFKB1 P19838 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
DPP4 P27487 3/20 0.32
EPHX2 P34913 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
APP P05067 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL25907975 0.80 CYP2D6 (0.38) CTSKCTSSHDAC3HDAC1HDAC2
SCHEMBL1259909 0.80 HDAC3 (0.41) CTSKCTSSHDAC3HDAC1HDAC2
SCHEMBL28302938 0.79 HDAC3 (0.38) CTSKHDAC3HDAC1HDAC2HDAC8
SCHEMBL31301833 0.79 ANPEP (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19143345 0.78 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL321317 0.77 HDAC3 (0.40) CTSKHDAC3HDAC1HDAC2HDAC8
SCHEMBL1555914 0.77 GABRP (0.50) CTSKHDAC3HDAC1HDAC2HDAC8
SCHEMBL5197380 0.77 GABRP (0.50) CTSKHDAC3HDAC1HDAC2HDAC8
Water SCHEMBL21597885 0.76 SLC1A1 (0.50)
Water SCHEMBL21597884 0.76 SLC1A1 (0.50)

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 CTSK 4660/4885CTSS 3691/4885HDAC3 2194/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B CTSK 4660/4885CTSS 3691/4885HDAC3 2194/4885

“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.