SCHEMBL12374515

SCHEMBL12374515

C[C@@H](OC(C)(C)C)C(NC/C=C/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
P4HB P07237 1/20 0.36
HIF1A Q16665 2/20 0.33
USP30 Q70CQ3 1/20 0.33
DGAT1 O75907 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL2282459 1.00 AAK1 (0.38) AAK1P4HBHIF1AUSP30DGAT1
SCHEMBL2282455 1.00 AAK1 (0.38) AAK1P4HBHIF1AUSP30DGAT1
SCHEMBL2282462 1.00 AAK1 (0.38) AAK1P4HBHIF1AUSP30DGAT1
SCHEMBL2286260 0.84 P4HB (0.36) AAK1P4HBHIF1AUSP30DGAT1
SCHEMBL2286273 0.84 P4HB (0.36) AAK1P4HBHIF1AUSP30DGAT1
SCHEMBL12374513 0.83 NPR3 (0.39) AAK1P4HBHIF1ACYP19A1
SCHEMBL14204179 0.83 NPR3 (0.39) AAK1P4HBHIF1ACYP19A1
SCHEMBL12374512 0.82 P4HB (0.39) AAK1P4HBHIF1AUSP30CA1
SCHEMBL12374511 0.81 P4HB (0.44) P4HBHIF1A
SCHEMBL12374514 0.78 AAK1 (0.41) AAK1P4HBHIF1AUSP30DGAT1

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 2786/4885HIF1A 2523/4885

“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.