SCHEMBL490389

SCHEMBL490389

CC(C)(C)OC(=O)N[C@@H](C/C=C(/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
CACNA1B Q00975 3/20 0.37
PPARG P37231 8/20 0.37
PPARA Q07869 8/20 0.37
PPARD Q03181 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IDO1 P14902 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MAPK1 P28482 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
SCHEMBL490798 1.00 AAK1 (0.42) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL490473 1.00 AAK1 (0.42) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL1147482 0.90 AAK1 (0.37) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL490824 0.89 AAK1 (0.40) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL1147713 0.88 AAK1 (0.35) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL1147406 0.88 PRMT5 (0.39) AAK1CACNA1BPPARGPPARAPRMT5
SCHEMBL490476 0.87 PPARG (0.37) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL491162 0.84 CACNA1B (0.51) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL490918 0.84 CACNA1B (0.51) AAK1CACNA1BPPARGPPARAPPARD
SCHEMBL3810376 0.78 AAK1 (0.47) AAK1PPARGPPARAPPARDPRMT5

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 AAK1 1469/4885CACNA1B 2344/4885PPARG 4032/4885

“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.