SCHEMBL21962888

SCHEMBL21962888

CC(C)(C)[Si](NS(=O)(=O)CCCC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FABP4 P15090 5/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL21962948 0.88 LMNA (0.39) ALDH1A1SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL22266023 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21962953 0.82 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL25014616 0.74 KCNN4 (0.37) GAASMN1; SMN2KMT2ANPSR1MAPT
SCHEMBL22266027 0.72 KEAP1 (0.41) ALDH1A1LMNAKMT2A
SCHEMBL28613140 0.69 PTGES2 (0.32) —
SCHEMBL22265966 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8878189 0.68 HDAC3 (0.43) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL25014712 0.68 GAA (0.32) GAAALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL28608696 0.68 CA12 (0.34) GAAALDH1A1MAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 — — EP disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 — — US disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 — — WO disclosed
EP-3880666-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 — — EP disclosed
CN-113166081-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 — — CN disclosed
WO-2020102100-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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 GAA 1390/4885TBXA2R 902/4885ALDH1A1 2065/4885

“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.

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