SCHEMBL490825

SCHEMBL490825

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.41
AAK1 Q2M2I8 3/20 0.40
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HIF1A Q16665 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
KLK7 P49862 2/20 0.32
KLK5 Q9Y337 2/20 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
SCHEMBL12332893 1.00 CACNA1B (0.41) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL490823 1.00 CACNA1B (0.41) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL1147408 0.94 CACNA1B (0.41) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL1147404 0.94 CACNA1B (0.41) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL490387 0.88 CACNA1B (0.44) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL490471 0.88 CACNA1B (0.44) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL490799 0.88 CACNA1B (0.44) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL490796 0.88 CACNA1B (0.44) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL490390 0.88 CACNA1B (0.44) CACNA1BAAK1PRMT5WDR77HIF1A
SCHEMBL1147480 0.87 CACNA1B (0.44) CACNA1BAAK1PRMT5WDR77HIF1A

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 CACNA1B 2344/4885AAK1 1469/4885PRMT5 1990/4885

“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.