SCHEMBL1147485

SCHEMBL1147485

CC(C)(C)OC(=O)N[C@](CC=Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)(C(=O)O)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.40
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NR1H4 Q96RI1 4/20 0.33
HIF1A Q16665 1/20 0.33
USP30 Q70CQ3 1/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL490391 0.90 AAK1 (0.44) AAK1PRMT5WDR77HDAC3HDAC4
SCHEMBL490801 0.90 AAK1 (0.44) AAK1PRMT5WDR77HDAC3HDAC4
SCHEMBL1147716 0.88 AAK1 (0.37) AAK1PRMT5WDR77USP30
SCHEMBL490826 0.86 AAK1 (0.42) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL1147409 0.86 AAK1 (0.41) AAK1PRMT5WDR77HIF1AUSP30
SCHEMBL490479 0.85 AAK1 (0.39) AAK1PRMT5WDR77NR1H4USP30
SCHEMBL1147434 0.84 ALDH1A1 (0.41) AAK1NR1H4USP30KMT2AL3MBTL1
SCHEMBL1147435 0.84 ALDH1A1 (0.41) AAK1NR1H4USP30KMT2AL3MBTL1
SCHEMBL490921 0.78 NPC1 (0.42) AAK1NR1H4KMT2AL3MBTL1ALDH1A1
SCHEMBL1147484 0.78 CACNA1B (0.44) AAK1PRMT5WDR77NR1H4HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297128-A1 INHIBITORS OF IKK- SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Ltd. (GB) 2011-03-23 EP disclosed
US-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2011-02-17 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-20110039920-A1 INHIBITORS OF IKK-BETA SERINE-THERONINE PROTEIN KINASE CSNK1E, PACSIN2, CHUK AAK1 673/4885PRMT5 336/4885WDR77 959/4885

“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.