SCHEMBL24978552

SCHEMBL24978552

CC(O)(COCCOCCOCCOCCOCc1ccccc1)c1ncc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
SLC16A3 O15427 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
SCHEMBL21962661 0.91 HDAC3 (0.32) LNPEPHDAC3HDAC4HDAC1HDAC7
SCHEMBL25034039 0.85
SCHEMBL24978550 0.84 KDM4E (0.35) LNPEP
SCHEMBL22012717 0.83 HTT (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21962770 0.83 KDM4E (0.36) LNPEPHDAC3HDAC4HDAC1HDAC7
SCHEMBL21962766 0.83 KDM4E (0.36) LNPEPHDAC3HDAC4HDAC1HDAC7
SCHEMBL24978553 0.82 LNPEP (0.30) LNPEP
SCHEMBL21963106 0.82 LNPEP (0.34) LNPEP
SCHEMBL21963104 0.82 LNPEP (0.34) LNPEP
SCHEMBL22012117 0.81 LNPEP (0.35) LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 LNPEP 162/4885HDAC3 1435/4885HDAC4 1858/4885

“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.