SCHEMBL12374514

SCHEMBL12374514

CC(C)(C)OC(=O)[C@@H](NC/C=C/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
P4HB P07237 1/20 0.38
USP30 Q70CQ3 1/20 0.38
NPR3 P17342 1/20 0.37
HIF1A Q16665 2/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
RAB9A P51151 1/20 0.33
DGAT1 O75907 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL12374512 0.88 P4HB (0.39) AAK1P4HBUSP30HIF1ARAB9A
SCHEMBL3273502 0.87 P4HB (0.44) AAK1P4HBHIF1ACA1CA2
SCHEMBL3273490 0.87 P4HB (0.44) AAK1P4HBHIF1ACA1CA2
SCHEMBL2284290 0.79 AAK1 (0.48) AAK1P4HBNPR3HIF1APRMT5
SCHEMBL2284283 0.79 AAK1 (0.48) AAK1P4HBNPR3HIF1APRMT5
SCHEMBL2284294 0.79 AAK1 (0.48) AAK1P4HBNPR3HIF1APRMT5
SCHEMBL2345770 0.79 AAK1 (0.48) AAK1P4HBNPR3HIF1APRMT5
SCHEMBL2282455 0.78 AAK1 (0.38) AAK1P4HBUSP30HIF1ADGAT1
SCHEMBL2282459 0.78 AAK1 (0.38) AAK1P4HBUSP30HIF1ADGAT1
SCHEMBL2282462 0.78 AAK1 (0.38) AAK1P4HBUSP30HIF1ADGAT1

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 6 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-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 AAK1 102/4885P4HB 2786/4885USP30 1273/4885

“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.