SCHEMBL490914

SCHEMBL490914

CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.43
CACNA1B Q00975 6/20 0.42
USP30 Q70CQ3 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KLK7 P49862 3/20 0.33
KLK5 Q9Y337 2/20 0.33
PTPN11 Q06124 1/20 0.33
HIF1A Q16665 1/20 0.33
BACE1 P56817 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32

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
SCHEMBL490842 0.85 CACNA1B (0.49) AAK1CACNA1BCTSSCTSK
SCHEMBL3810467 0.84 AAK1 (0.49) AAK1PRMT5WDR77CTSSCTSK
SCHEMBL490829 0.84 CACNA1B (0.59) AAK1CACNA1BCTSSCTSKKLK7
SCHEMBL490591 0.83 AAK1 (0.50) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490782 0.83 AAK1 (0.50) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490706 0.83 AAK1 (0.49) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490630 0.83 AAK1 (0.49) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490796 0.81 CACNA1B (0.44) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490390 0.81 CACNA1B (0.44) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490387 0.81 CACNA1B (0.44) AAK1CACNA1BUSP30PRMT5WDR77

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 6 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
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
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO 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 1469/4885CACNA1B 2344/4885USP30 1398/4885

“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.