SCHEMBL490799

SCHEMBL490799

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.44
AAK1 Q2M2I8 3/20 0.41
P4HB P07237 1/20 0.36
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
HIF1A Q16665 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 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
SCHEMBL490390 1.00 CACNA1B (0.44) CACNA1BAAK1P4HBUSP30PRMT5
SCHEMBL490796 1.00 CACNA1B (0.44) CACNA1BAAK1P4HBUSP30PRMT5
SCHEMBL490387 1.00 CACNA1B (0.44) CACNA1BAAK1P4HBUSP30PRMT5
SCHEMBL490471 1.00 CACNA1B (0.44) CACNA1BAAK1P4HBUSP30PRMT5
SCHEMBL1147480 0.91 CACNA1B (0.44) CACNA1BAAK1USP30PRMT5WDR77
SCHEMBL1147484 0.91 CACNA1B (0.44) CACNA1BAAK1USP30PRMT5WDR77
SCHEMBL1147714 0.89 CACNA1B (0.41) CACNA1BAAK1USP30PRMT5WDR77
SCHEMBL1147709 0.89 CACNA1B (0.41) CACNA1BAAK1USP30PRMT5WDR77
SCHEMBL1147404 0.88 CACNA1B (0.41) CACNA1BAAK1USP30PRMT5WDR77
SCHEMBL490823 0.88 CACNA1B (0.41) CACNA1BAAK1USP30PRMT5WDR77

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 CACNA1B 2344/4885AAK1 1469/4885P4HB 1282/4885

“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.