SCHEMBL25907975

SCHEMBL25907975

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CTSK P43235 9/20 0.36
CTSS P25774 7/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL28275184 0.82 CYP2D6 (0.45) CYP2D6TSHRHDAC3HDAC1HDAC2
SCHEMBL21667012 0.82 TSHR (0.32) TSHR
SCHEMBL1259909 0.81 HDAC3 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25907972 0.80 CTSK (0.34) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4954427 0.79 TSHR (0.48) TSHRCA7
SCHEMBL6000874 0.78 CA1 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL11053349 0.77 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27322922 0.77 TSHR (0.40) TSHR
SCHEMBL28632400 0.76 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28634513 0.76 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8

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 CYP2D6 272/4885TSHR 1670/4885HDAC3 2194/4885
US-11912644-B2 Processes for the preparation of (S)-tert-butyl 4,5-diamino-5-oxopentanoate UMPS, DHPS, NT5C3B CYP2D6 272/4885TSHR 1670/4885HDAC3 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.