SCHEMBL490476

SCHEMBL490476

CC(C)(C)OC(=O)N[C@@H](C/C=C(/c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)C1CCCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.37
PPARA Q07869 8/20 0.37
AAK1 Q2M2I8 1/20 0.36
CACNA1B Q00975 4/20 0.36
ACE P12821 1/20 0.35
PPARD Q03181 2/20 0.34
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL490798 0.87 AAK1 (0.42) PPARGPPARAAAK1CACNA1BPPARD
SCHEMBL490389 0.87 AAK1 (0.42) PPARGPPARAAAK1CACNA1BPPARD
SCHEMBL490473 0.87 AAK1 (0.42) PPARGPPARAAAK1CACNA1BPPARD
SCHEMBL1147482 0.85 AAK1 (0.37) PPARGPPARAAAK1CACNA1BACE
SCHEMBL490824 0.83 AAK1 (0.40) PPARGPPARAAAK1CACNA1BACE
SCHEMBL1147713 0.82 AAK1 (0.35) PPARGPPARAAAK1CACNA1BACE
SCHEMBL1147406 0.80 PRMT5 (0.39) PPARGPPARAAAK1CACNA1BACE
SCHEMBL491162 0.78 CACNA1B (0.51) PPARGPPARAAAK1CACNA1BPPARD
SCHEMBL490918 0.78 CACNA1B (0.51) PPARGPPARAAAK1CACNA1BPPARD
SCHEMBL1147981 0.76 CACNA1B (0.45) PPARGPPARAAAK1CACNA1BACE

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 PPARG 4032/4885PPARA 3915/4885AAK1 1469/4885

“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.