SCHEMBL22010629

SCHEMBL22010629

COC(=O)CC(c1cccc(C(=O)OC)c1)S(N)(=O)=N[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.41
▸ F10 P00742 8/20 0.41
▸ PRSS1 P07477 7/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ LOX P28300 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ CASR P41180 2/20 0.35
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34

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
SCHEMBL22010636 0.88 F2 (0.39) F2F10PRSS1CA12CA1
SCHEMBL21962905 0.81 F2 (0.49) F2F10PRSS1CA12CA1
SCHEMBL22010634 0.80 F2 (0.41) F2F10PRSS1CA12CA1
SCHEMBL21962961 0.78 F2 (0.47) F2F10PRSS1CA12CA1
SCHEMBL25829889 0.71 MEN1 (0.43) F2PRSS1CA12CA1CA2
SCHEMBL22076564 0.70 F2 (0.51) F2F10PRSS1LOXL2POLB
SCHEMBL21962932 0.68 KDM4E (0.47) CA12CA1CA2CA9
SCHEMBL21962887 0.68 KDM4E (0.43) CA12CA1CA2CA9
SCHEMBL22280038 0.66 LOXL2 (0.47) CA12CA1CA2CA9LOXL2
SCHEMBL4446181 0.66 LOXL2 (0.62) CA12CA1CA2CA9LOXL2

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 3 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
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 — — WO disclosed
WO-2020102100-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 — — WO disclosed
Send feedback