SCHEMBL26895103

SCHEMBL26895103

CC(C)(C)OC(=O)N[C@H](CCC(=O)OC1CCCC1)C(=O)OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.53
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSK P43235 5/20 0.43
CTSS P25774 4/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NAAA Q02083 2/20 0.40
KLK7 P49862 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 2/20 0.36
KLK5 Q9Y337 1/20 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
SCHEMBL29050983 0.99 CACNA1B (0.53) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL29050985 0.99 CACNA1B (0.53) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL30044916 0.93 CACNA1B (0.55) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL192185 0.90 CACNA1B (0.48) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL376117 0.90 CACNA1B (0.48) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL4233928 0.90 CACNA1B (0.48) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL29051012 0.89 CACNA1B (0.45) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL29488044 0.89 CACNA1B (0.45) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL29051004 0.89 CACNA1B (0.45) CACNA1BHDAC4HDAC1HDAC6CTSK
SCHEMBL6842296 0.89 CACNA1B (0.48) CACNA1BHDAC4HDAC1HDAC6CTSK

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-20230382886-A1 CONJUGATED TLR7 AND NOD2 AGONISTS UNIVERZA V LJUBLJANI (SI) 2023-11-30 US disclosed
US-20230382886-A1 CONJUGATED TLR7 AND NOD2 AGONISTS UNIVERZA V LJUBLJANI (SI) 2023-11-30 US disclosed
EP-4232094-A1 CONJUGATED TLR7 AND NOD2 AGONISTS Univerza V Ljubljani (SI) 2023-08-30 EP disclosed
WO-2022084417-A1 CONJUGATED TLR7 AND NOD2 AGONISTS UNIVERZA V LJUBLJANI (SI) 2022-04-28 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-20230382886-A1 CONJUGATED TLR7 AND NOD2 AGONISTS NOD2, TLR7, TLR9 CACNA1B 4712/4885HDAC4 751/4885HDAC1 952/4885

“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.