SCHEMBL490601

SCHEMBL490601

CC(C)(C)OC(=O)N[C@@H](CCOc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.43
AAK1 Q2M2I8 2/20 0.38
KLK7 P49862 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
USP30 Q70CQ3 1/20 0.34
KLK5 Q9Y337 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL491018 0.91 CACNA1B (0.42) CACNA1BAAK1KLK7KDM4EALDH1A1
SCHEMBL490782 0.87 AAK1 (0.50) CACNA1BAAK1KLK7HRH2HRH1
SCHEMBL490591 0.87 AAK1 (0.50) CACNA1BAAK1KLK7HRH2HRH1
SCHEMBL1147671 0.85 CACNA1B (0.47) CACNA1BAAK1KLK7USP30KLK5
SCHEMBL490686 0.84 AAK1 (0.55) CACNA1BAAK1KLK7KDM4EALDH1A1
SCHEMBL490630 0.83 AAK1 (0.49) CACNA1BAAK1KLK7HRH2HRH1
SCHEMBL490706 0.83 AAK1 (0.49) CACNA1BAAK1KLK7HRH2HRH1
SCHEMBL490478 0.82 CACNA1B (0.42) CACNA1BAAK1KLK7KDM4EALDH1A1
SCHEMBL490475 0.82 CACNA1B (0.42) CACNA1BAAK1KLK7KDM4EALDH1A1
SCHEMBL490851 0.82 AAK1 (0.46) CACNA1BAAK1KLK7KDM4EALDH1A1

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 7 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
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 CACNA1B 2344/4885AAK1 1469/4885KLK7 3837/4885

“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.