SCHEMBL490854

SCHEMBL490854

C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.48
CTSK P43235 7/20 0.46
CTSS P25774 5/20 0.46
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CTSL P07711 2/20 0.37
CTSB P07858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
EPHX1 P07099 2/20 0.36

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
SCHEMBL16469897 0.83 CACNA1B (0.52) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL28628007 0.83 CACNA1B (0.52) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL16330581 0.83 CACNA1B (0.52) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL3735030 0.82 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL3733285 0.82 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1688920 0.82 CTSK (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12332835 0.82 CTSK (0.50) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL16470235 0.82 CACNA1B (0.51) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL560138 0.82 CACNA1B (0.50) CACNA1BCTSKCTSSHDAC4HDAC1
SCHEMBL192989 0.82 CACNA1B (0.50) CACNA1BCTSKCTSSHDAC4HDAC1

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 9 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
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
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO 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 2344/4885CTSK 2888/4885CTSS 2844/4885

“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.