SCHEMBL4820504

SCHEMBL4820504

CC(O)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.41
HDAC6 Q9UBN7 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GBA1 P04062 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PDK2 Q15119 1/20 0.32
MAPK1 P28482 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL3711368 0.89 CTSK (0.38) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL14651989 0.88 CTSK (0.42) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL31222204 0.87 CTSK (0.39) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL4818294 0.83 CTSK (0.39) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL4818286 0.83 CTSK (0.39) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL4818625 0.83 CTSK (0.39) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL4632658 0.82 CTSK (0.39) CTSKHDAC6HDAC1HDAC2CA14
SCHEMBL22875161 0.82 GPR88 (0.41) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL16941095 0.80 CTSK (0.39) CTSKHDAC6CHRNB2CHRNB4CHRNA3
SCHEMBL13645923 0.80 CTSK (0.42) CTSKHDAC6HDAC1HDAC2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US disclosed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP 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-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 CTSK 4729/4885HDAC6 277/4885CHRNB2 2059/4885

“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.