Sugi Predict

Sugi Predict / Compounds / SCHEMBL21962889

SCHEMBL21962889

SCHEMBL21962889

COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ HPGD P15428 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALPL P05186 2/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL21962907 0.89 KDM4E (0.45) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL22827687 0.87 KDM4E (0.46) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL21962911 0.85 ABL1 (0.48) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL22827684 0.85 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL21962931 0.85 ALPL (0.43) HSD17B10SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL22827907 0.83 CFTR (0.52) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL21962916 0.82 CA1 (0.56) HSD17B10ALDH1A1MAPTGAATSHR
SCHEMBL21962968 0.80 MEN1 (0.36) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL6151581 0.80 KDM4E (0.52) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL22827575 0.80 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD

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 7 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
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 KDM4E 4507/4885HSD17B10 932/4885SMN1; SMN2 2580/4885

“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.