SCHEMBL490919

SCHEMBL490919

CC(C)(C)OC(=O)N[C@@H](CCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.49
KLK7 P49862 4/20 0.41
KLK5 Q9Y337 3/20 0.41
PPARA Q07869 2/20 0.41
AAK1 Q2M2I8 2/20 0.41
PPARG P37231 1/20 0.40
USP30 Q70CQ3 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ITGAV P06756 1/20 0.36
ITGB6 P18564 1/20 0.36
CTSS P25774 1/20 0.35

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
SCHEMBL490782 0.88 AAK1 (0.50) CACNA1BKLK7AAK1USP30PRMT5
SCHEMBL490591 0.88 AAK1 (0.50) CACNA1BKLK7AAK1USP30PRMT5
SCHEMBL490842 0.88 CACNA1B (0.49) CACNA1BAAK1CTSS
SCHEMBL490706 0.85 AAK1 (0.49) CACNA1BKLK7KLK5AAK1USP30
SCHEMBL490630 0.85 AAK1 (0.49) CACNA1BKLK7KLK5AAK1USP30
SCHEMBL10052889 0.84 CACNA1B (0.68) CACNA1BKLK7KLK5PPARAAAK1
SCHEMBL490851 0.83 AAK1 (0.46) CACNA1BKLK7KLK5AAK1USP30
SCHEMBL490686 0.82 AAK1 (0.55) CACNA1BKLK7KLK5PPARAAAK1
SCHEMBL1147671 0.82 CACNA1B (0.47) CACNA1BKLK7KLK5AAK1USP30
SCHEMBL490465 0.81 CACNA1B (0.41) CACNA1BKLK7KLK5AAK1USP30

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 9 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
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP 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
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 CACNA1B 2344/4885KLK7 3837/4885KLK5 4380/4885

“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.