SCHEMBL490915

SCHEMBL490915

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.47
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PTPN11 Q06124 1/20 0.36
USP30 Q70CQ3 1/20 0.35
DGAT1 O75907 1/20 0.34
HIF1A Q16665 2/20 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
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL490832 0.83 PTPN11 (0.41) AAK1PTPN11
SCHEMBL490801 0.80 AAK1 (0.44) AAK1PRMT5WDR77USP30DGAT1
SCHEMBL490391 0.80 AAK1 (0.44) AAK1PRMT5WDR77USP30DGAT1
SCHEMBL490467 0.76 AAK1 (0.41) AAK1PRMT5WDR77USP30
SCHEMBL490914 0.76 AAK1 (0.43) AAK1PRMT5WDR77PTPN11USP30
SCHEMBL1147409 0.75 AAK1 (0.41) AAK1PRMT5WDR77USP30DGAT1
SCHEMBL490826 0.75 AAK1 (0.42) AAK1PRMT5WDR77USP30DGAT1
SCHEMBL490856 0.75 CTSK (0.39)
SCHEMBL3810467 0.74 AAK1 (0.49) AAK1PRMT5WDR77PTPN11F2
SCHEMBL1147485 0.74 AAK1 (0.40) AAK1PRMT5WDR77USP30DGAT1

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 1469/4885PRMT5 1990/4885WDR77 1523/4885

“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.