SCHEMBL21962391

SCHEMBL21962391

CC(C)(O)c1ccc(S(N)(=O)=N[Si](C)(C)C(C)(C)C)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL21962465 0.87 CA2 (0.38) BACE1CA12CA1CA2CA9
SCHEMBL20692024 0.78 ALDH1A1 (0.32) CA2
SCHEMBL21962506 0.78 LOXL2 (0.33) CA12CA1CA2CA9CA14
SCHEMBL30770391 0.78 LOXL2 (0.33) CA12CA1CA2CA9CA14
SCHEMBL20692017 0.77 KIF11 (0.37) CA12CA1CA2CA9CA14
SCHEMBL21810637 0.74 PTGS2 (0.33) CA12CA1CA2CA9CA14
SCHEMBL30243676 0.74 PTGS2 (0.33) CA12CA1CA2CA9CA14
SCHEMBL19475264 0.70 TDP1 (0.34) CA12CA1CA2CA9CA14
SCHEMBL20681591 0.70 HSD11B1 (0.42) CA1CA2
SCHEMBL20692022 0.69 NLRP3 (0.37) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 BACE1 1043/4885CA12 2844/4885CA1 3732/4885

“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.