SCHEMBL23355753

SCHEMBL23355753

CCN(CC)C(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CA14 Q9ULX7 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSL P07711 3/20 0.31
CTSB P07858 3/20 0.31
CTSS P25774 3/20 0.31
CTSD P07339 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
HCRTR2 O43614 1/20 0.31
CA2 P00918 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
SCHEMBL10676814 0.86 CA14 (0.38) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL13451748 0.82 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL3315785 0.80 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL4139964 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL5001089 0.78 CA12 (0.55) LMNAHDAC6HDAC1HDAC2NFKB1
SCHEMBL21069315 0.78 MVD (0.39) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL397071 0.78 MVD (0.39) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL25134161 0.78 MVD (0.39) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL25133621 0.78 MVD (0.39) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL7174230 0.78 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14NFKB1

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
US-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS NIKANG THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
EP-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN 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 (1 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-20210355104-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS ADORA2A, ADORA1, ADORA3 LMNA 3172/4885HDAC6 3629/4885HDAC1 2376/4885

“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.