SCHEMBL10052889

SCHEMBL10052889

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

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.68
PPARA Q07869 2/20 0.46
CTSS P25774 3/20 0.45
CTSK P43235 1/20 0.45
PPARG P37231 1/20 0.45
KLK7 P49862 5/20 0.44
KLK5 Q9Y337 3/20 0.44
AAK1 Q2M2I8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
P2RX7 Q99572 1/20 0.38
ITGAV P06756 1/20 0.38
ITGB6 P18564 1/20 0.38

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
SCHEMBL10052884 0.86 CACNA1B (0.60) CACNA1BCTSSCTSKKLK7AAK1
SCHEMBL10076795 0.86 CACNA1B (0.70) CACNA1BCTSSCTSKAAK1ALDH1A1
SCHEMBL490919 0.84 CACNA1B (0.49) CACNA1BPPARACTSSPPARGKLK7
SCHEMBL490684 0.83 CACNA1B (0.59) CACNA1BCTSSCTSKKLK7KLK5
SCHEMBL490652 0.82 PPARA (0.63) CACNA1BPPARACTSSCTSKPPARG
SCHEMBL490583 0.82 CACNA1B (0.60) CACNA1BCTSSCTSKKLK7KLK5
SCHEMBL5348864 0.81 CACNA1B (1.00) CACNA1BPPARACTSSCTSKPPARG
SCHEMBL13667331 0.79 CACNA1B (0.52) CACNA1BCTSSCTSKKLK7AAK1
SCHEMBL7360681 0.79 KLK7 (0.65) CACNA1BPPARACTSSPPARGKLK7
SCHEMBL192978 0.78 CACNA1B (0.54) CACNA1BKLK7KLK5ALDH1A1

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 5 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-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 2344/4885PPARA 3915/4885CTSS 2844/4885

“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.