SCHEMBL490479

SCHEMBL490479

CC(C)(C)OC(=O)N[C@](CC=Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)(C(=O)O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NR1H4 Q96RI1 3/20 0.31
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL490801 0.87 AAK1 (0.44) AAK1KMT2AL3MBTL1PRMT5WDR77
SCHEMBL490391 0.87 AAK1 (0.44) AAK1KMT2AL3MBTL1PRMT5WDR77
SCHEMBL1147485 0.85 AAK1 (0.40) AAK1KMT2AL3MBTL1PRMT5WDR77
SCHEMBL1147716 0.82 AAK1 (0.37) AAK1PRMT5WDR77USP30
SCHEMBL490826 0.81 AAK1 (0.42) AAK1PRMT5WDR77USP30
SCHEMBL1147409 0.80 AAK1 (0.41) AAK1PRMT5WDR77USP30
SCHEMBL490478 0.78 CACNA1B (0.42) AAK1PRMT5WDR77USP30
SCHEMBL490475 0.78 CACNA1B (0.42) AAK1PRMT5WDR77USP30
SCHEMBL490921 0.77 NPC1 (0.42) AAK1KMT2AL3MBTL1NR1H4
SCHEMBL1147434 0.76 ALDH1A1 (0.41) AAK1KMT2AL3MBTL1NR1H4USP30

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-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK AAK1 1469/4885KMT2A 2098/4885L3MBTL1 905/4885

“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.