SCHEMBL4820463

SCHEMBL4820463

C=CC[C@H](O)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
CA14 Q9ULX7 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4819399 1.00 CTSK (0.39) CTSKHDAC1HDAC2HDAC6CYP3A4
SCHEMBL4819388 1.00 CTSK (0.39) CTSKHDAC1HDAC2HDAC6CYP3A4
SCHEMBL4818893 0.91 CTSK (0.36) CTSKHDAC1HDAC2HDAC6CYP3A4
SCHEMBL31038369 0.82 CYP3A4 (0.38) CTSKHDAC1HDAC2HDAC6CYP3A4
SCHEMBL4818286 0.82 CTSK (0.39) CTSKHDAC1HDAC2HDAC6CA14
SCHEMBL4818625 0.82 CTSK (0.39) CTSKHDAC1HDAC2HDAC6CA14
SCHEMBL4818294 0.82 CTSK (0.39) CTSKHDAC1HDAC2HDAC6CA14
SCHEMBL4632658 0.81 CTSK (0.39) CTSKHDAC1HDAC2HDAC6CA14
SCHEMBL25085825 0.79 CTSK (0.36) CTSKHDAC1HDAC2HDAC6L3MBTL1
SCHEMBL4820504 0.79 CTSK (0.41) CTSKHDAC1HDAC2HDAC6CA14

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-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US 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 4729/4885HDAC1 166/4885HDAC2 213/4885

“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.