SCHEMBL490639

SCHEMBL490639

CC(C)(C)OC(=O)N[C@H](CCO)C(=O)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.50
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSK P43235 7/20 0.44
CTSS P25774 6/20 0.44
KLK7 P49862 1/20 0.38
EPHX1 P07099 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL192990 1.00 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192989 1.00 CACNA1B (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192829 0.92 HDAC4 (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192830 0.92 HDAC4 (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL14067013 0.89 CTSK (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL12332835 0.89 CTSK (0.50) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192377 0.88 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192376 0.88 CACNA1B (0.52) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL12336594 0.88 CACNA1B (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL14196749 0.88 CACNA1B (0.49) CACNA1BHDAC4HDAC1HDAC6CTSK

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
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
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
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
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 2344/4885HDAC4 2279/4885HDAC1 1215/4885

“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.