SCHEMBL2280780

SCHEMBL2280780

C[C@@H](OC(C)(C)C)[C@H](NCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.39
LPL P06858 1/20 0.39
MAPK14 Q16539 5/20 0.37
CACNA1B Q00975 2/20 0.34
AAK1 Q2M2I8 2/20 0.33
GHSR Q92847 1/20 0.33
HIF1A Q16665 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
BACE1 P56817 1/20 0.31
ACHE P22303 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
SCHEMBL2280778 1.00 LIPG (0.39) LIPGLPLMAPK14CACNA1BAAK1
SCHEMBL2280542 0.85 MAPK14 (0.47) LIPGLPLMAPK14CACNA1BAAK1
SCHEMBL2282683 0.83 MAPK14 (0.45) LIPGLPLMAPK14CACNA1BAAK1
SCHEMBL2282699 0.83 MAPK14 (0.45) LIPGLPLMAPK14CACNA1BAAK1
SCHEMBL12374507 0.82 MAPK14 (0.45) LIPGLPLMAPK14
SCHEMBL1200148 0.79 LIPG (0.44) LIPGLPLCACNA1BAAK1HIF1A
SCHEMBL2282459 0.77 AAK1 (0.38) AAK1HIF1AUSP30
SCHEMBL2282455 0.77 AAK1 (0.38) AAK1HIF1AUSP30
SCHEMBL2282462 0.77 AAK1 (0.38) AAK1HIF1AUSP30
SCHEMBL12374515 0.77 AAK1 (0.38) AAK1HIF1AUSP30

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
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

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 LIPG 3194/4885LPL 2733/4885MAPK14 654/4885

“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.