SCHEMBL2283385

SCHEMBL2283385

CC(C)(C)C1([C@H](NCC=Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.42
AAK1 Q2M2I8 1/20 0.35
F2 P00734 2/20 0.33
F11 P03951 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
DGAT1 O75907 1/20 0.32
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
LIPG Q9Y5X9 3/20 0.31
HIF1A Q16665 2/20 0.31
LPL P06858 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 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
SCHEMBL2281177 0.83 P4HB (0.41) P4HBAAK1F2F11PRSS1
SCHEMBL3273490 0.79 P4HB (0.44) P4HBAAK1F2F11PRSS1
SCHEMBL3273502 0.79 P4HB (0.44) P4HBAAK1F2F11PRSS1
SCHEMBL3274389 0.74 P4HB (0.53) P4HBAAK1F2F11PRSS1
SCHEMBL3274383 0.74 P4HB (0.53) P4HBAAK1F2F11PRSS1
SCHEMBL12374514 0.73 AAK1 (0.41) P4HBAAK1DGAT1CA1CA2
SCHEMBL2281184 0.71 P4HB (0.44) P4HBAAK1F2F11PRSS1
SCHEMBL2281172 0.71 P4HB (0.44) P4HBAAK1F2F11PRSS1
SCHEMBL2283388 0.71 P4HB (0.42) P4HBAAK1F2F11PRSS1
SCHEMBL2283382 0.71 P4HB (0.42) P4HBAAK1F2F11PRSS1

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
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-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 P4HB 2786/4885AAK1 102/4885F2 3608/4885

“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.