SCHEMBL10052884

SCHEMBL10052884

CC(C)(C)OC(=O)N[C@H](CCOc1ccc(Br)cc1)C(=O)OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.60
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HRH2 P25021 6/20 0.42
HRH1 P35367 6/20 0.42
AAK1 Q2M2I8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KLK7 P49862 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL490684 0.95 CACNA1B (0.59) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL8257659 0.90 CACNA1B (0.51) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL2740535 0.90 CACNA1B (0.51) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL13667331 0.88 CACNA1B (0.52) CACNA1BAAK1ALDH1A1CTSSCTSK
SCHEMBL192978 0.88 CACNA1B (0.54) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL14066762 0.88 CACNA1B (0.49) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL13421977 0.88 CACNA1B (0.49) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL192979 0.88 CACNA1B (0.54) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL193382 0.86 CACNA1B (0.48) CACNA1BITGB3ITGA2BHRH2HRH1
SCHEMBL193381 0.86 CACNA1B (0.48) CACNA1BITGB3ITGA2BHRH2HRH1

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 2 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-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 2344/4885ITGB3 2310/4885ITGA2B 3707/4885

“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.