SCHEMBL4818893

SCHEMBL4818893

C=CCC(O)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL4820463 0.91 CTSK (0.39) CTSKCYP3A4TSHRCYP2C19HDAC6
SCHEMBL4819399 0.91 CTSK (0.39) CTSKCYP3A4TSHRCYP2C19HDAC6
SCHEMBL4819388 0.91 CTSK (0.39) CTSKCYP3A4TSHRCYP2C19HDAC6
SCHEMBL25085825 0.85 CTSK (0.36) CTSKHDAC6HDAC1HDAC2L3MBTL1
SCHEMBL31038369 0.84 CYP3A4 (0.38) CTSKCYP3A4TSHRCYP2C19HDAC6
SCHEMBL6339385 0.81 CTSK (0.38) CTSKTSHRCYP2C19HDAC6HDAC1
SCHEMBL15866143 0.81 CTSK (0.40) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL754325 0.81 CTSK (0.37) CTSKHDAC6HDAC1HDAC2L3MBTL1
SCHEMBL6327607 0.80 GPR88 (0.36) CTSKHDAC6HDAC1HDAC2PDK2
SCHEMBL23572548 0.78 CTSK (0.38) CTSKHDAC6HDAC1HDAC2L3MBTL1

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-20240270736-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-08-15 US disclosed
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 (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-20240270736-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF TP53, HRAS, KRAS CTSK 2352/4885CYP3A4 4030/4885TSHR 1647/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 CTSK 4729/4885CYP3A4 297/4885TSHR 305/4885

“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.