SCHEMBL490466

SCHEMBL490466

CC(C)(C)OC(=O)N[C@@H](CC(C1CCCC1)N(Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
ACE P12821 2/20 0.38
KMT2A Q03164 3/20 0.37
PSMB5 P28074 1/20 0.37
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.36
IDO1 P14902 1/20 0.36
REN P00797 2/20 0.36
PPARD Q03181 2/20 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
SCHEMBL490570 0.85 CACNA1B (0.47) MAPK1PPARAPPARGACEKMT2A
SCHEMBL490465 0.78 CACNA1B (0.41) MAPK1AAK1ACEKMT2APSMB5
SCHEMBL5892821 0.73 ITGB3 (0.56) AAK1PPARAPPARGACEPPARD
SCHEMBL1818990 0.73 ITGB3 (0.56) AAK1PPARAPPARGACEPPARD
SCHEMBL1818988 0.73 ITGB3 (0.56) AAK1PPARAPPARGACEPPARD
SCHEMBL490467 0.73 AAK1 (0.41) AAK1ACEKMT2APSMB5
SCHEMBL490842 0.72 CACNA1B (0.49) AAK1ACEPSMB5
SCHEMBL490389 0.71 AAK1 (0.42) MAPK1AAK1PPARAPPARGIDO1
SCHEMBL490473 0.71 AAK1 (0.42) MAPK1AAK1PPARAPPARGIDO1
SCHEMBL490798 0.71 AAK1 (0.42) MAPK1AAK1PPARAPPARGIDO1

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 MAPK1 131/4885AAK1 1469/4885PPARA 3915/4885

“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.