SCHEMBL490826

SCHEMBL490826

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HIF1A Q16665 3/20 0.34
USP30 Q70CQ3 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
DGAT1 O75907 1/20 0.32
ACACB O00763 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
SCHEMBL1147409 0.93 AAK1 (0.41) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL490801 0.87 AAK1 (0.44) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL490391 0.87 AAK1 (0.44) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL1147485 0.86 AAK1 (0.40) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL1147716 0.84 AAK1 (0.37) AAK1PRMT5WDR77USP30
SCHEMBL490479 0.81 AAK1 (0.39) AAK1PRMT5WDR77USP30
SCHEMBL490825 0.77 CACNA1B (0.41) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL12332893 0.77 CACNA1B (0.41) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL490823 0.77 CACNA1B (0.41) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL490915 0.75 AAK1 (0.47) AAK1PRMT5WDR77HIF1AUSP30

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
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 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-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK AAK1 1469/4885PRMT5 1990/4885WDR77 1523/4885

“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.