SCHEMBL490686

SCHEMBL490686

CC(C)(C)OC(=O)N[C@@H](CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.55
CACNA1B Q00975 5/20 0.43
USP30 Q70CQ3 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KLK7 P49862 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.34
KLK5 Q9Y337 2/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
DGAT1 O75907 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
SCHEMBL490851 0.93 AAK1 (0.46) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490591 0.87 AAK1 (0.50) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490782 0.87 AAK1 (0.50) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL1147671 0.85 CACNA1B (0.47) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490601 0.84 CACNA1B (0.43) AAK1CACNA1BUSP30KLK7KDM4E
SCHEMBL490630 0.83 AAK1 (0.49) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490706 0.83 AAK1 (0.49) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL490919 0.82 CACNA1B (0.49) AAK1CACNA1BUSP30PRMT5WDR77
SCHEMBL491018 0.80 CACNA1B (0.42) AAK1CACNA1BUSP30KLK7KDM4E
SCHEMBL490842 0.80 CACNA1B (0.49) AAK1CACNA1B

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
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US 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
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 1469/4885CACNA1B 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.