SCHEMBL3575502

SCHEMBL3575502

CC(C)(C)OC(=O)NC1CCCCC1(O)[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.42
GAA P10253 2/20 0.41
EPHX1 P07099 2/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CTSK P43235 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL25985158 0.81 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL25985044 0.81 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL25988942 0.81 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL8315143 0.81 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL25985131 0.81 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL5800481 0.81 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL24821867 0.78 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL8245777 0.78 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL12493050 0.78 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL15191538 0.78 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2

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-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA BTK 1821/4885GAA 970/4885EPHX1 2325/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS BTK 2875/4885GAA 946/4885EPHX1 3634/4885

“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.