SCHEMBL2282138

SCHEMBL2282138

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1CCN[C@@H](CC(C)C)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
NPR3 P17342 1/20 0.36
HIF1A Q16665 3/20 0.35
AAK1 Q2M2I8 2/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
ANPEP P15144 2/20 0.33
LTA4H P09960 1/20 0.33
LAP3 P28838 1/20 0.33
NPEPPS P55786 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL2282145 1.00 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2278681 0.90 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2282213 0.90 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2278687 0.90 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2282216 0.90 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2276175 0.86 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2276180 0.86 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2276126 0.86 NPR3 (0.37) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2276121 0.86 NPR3 (0.37) MAPK14MAPK13MAPK12MAPK11NPR3
SCHEMBL2282699 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11NPR3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
EP-2078007-B1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-08-31 EP disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-8003695-B2 IKK-beta serine-threonine protein kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-08-23 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
US-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS Chroma Terapeutics Ltd (GB) 2010-04-08 US disclosed
WO-2008053182-A1 IKK-β SERINE-THREONINE PROTEIN KINASE INHIBITORS 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-20100087515-A1 IKK-BETA SERINE-THREONINE PROTEIN KINASE INHIBITORS IRAK3, IKBKE, IRAK1 MAPK14 654/4885MAPK13 376/4885MAPK12 528/4885

“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.