SCHEMBL24820401

SCHEMBL24820401

CCOC(=O)NC(=O)C(C#N)NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALOX12 P18054 2/20 0.35
THRB P10828 1/20 0.35
PSMD14 O00487 1/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL28440232 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL23168778 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBTRPM8MEN1
SCHEMBL24819260 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1POLBTRPM8MEN1
SCHEMBL5847962 0.74 GAA (0.54) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL14519887 0.71 GAA (0.42) ALDH1A1L3MBTL1TRPM8MEN1KMT2A
SCHEMBL9781437 0.71 ALDH1A1 (0.38) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL28920601 0.70 MGAM (0.41) ALDH1A1L3MBTL1TRPM8MGAMGAA
SCHEMBL8115579 0.70 GAA (0.41) ALDH1A1L3MBTL1TRPM8MEN1KMT2A
SCHEMBL10416875 0.70 GAA (0.41) ALDH1A1L3MBTL1TRPM8MGAMGAA
SCHEMBL7713280 0.70 GAA (0.55) ALDH1A1L3MBTL1MGAMGAASI

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411400-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-12-29 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 (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-20220411400-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF THRB, TSHR, THRA ALDH1A1 1134/4885L3MBTL1 4067/4885POLB 3761/4885

“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.