SCHEMBL490801

SCHEMBL490801

CC(C)(C)OC(=O)N[C@@](CC=Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)(C(=O)O)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.44
P4HB P07237 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
USP30 Q70CQ3 1/20 0.35
DGAT1 O75907 1/20 0.34
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC4 P56524 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
SCHEMBL490391 1.00 AAK1 (0.44) AAK1P4HBPRMT5WDR77USP30
SCHEMBL1147485 0.90 AAK1 (0.40) AAK1P4HBPRMT5WDR77USP30
SCHEMBL1147716 0.88 AAK1 (0.37) AAK1PRMT5WDR77USP30
SCHEMBL490826 0.87 AAK1 (0.42) AAK1PRMT5WDR77USP30DGAT1
SCHEMBL1147409 0.87 AAK1 (0.41) AAK1PRMT5WDR77USP30DGAT1
SCHEMBL490479 0.87 AAK1 (0.39) AAK1PRMT5WDR77USP30KMT2A
SCHEMBL490921 0.83 NPC1 (0.42) AAK1ALDH1A1KMT2AL3MBTL1NR1H4
SCHEMBL490915 0.80 AAK1 (0.47) AAK1PRMT5WDR77USP30DGAT1
SCHEMBL490467 0.76 AAK1 (0.41) AAK1P4HBPRMT5WDR77USP30
SCHEMBL1147435 0.76 ALDH1A1 (0.41) AAK1USP30ALDH1A1KMT2AL3MBTL1

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 1469/4885P4HB 1282/4885PRMT5 1990/4885

“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.