SCHEMBL21962905

SCHEMBL21962905

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.49
▸ F10 P00742 7/20 0.49
▸ PRSS1 P07477 6/20 0.49
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.44
▸ LOX P28300 1/20 0.44
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ CASR P41180 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PTGS1 P23219 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
SCHEMBL21962961 0.88 F2 (0.47) F2F10PRSS1CA12CA1
SCHEMBL22010629 0.81 F2 (0.41) F2F10PRSS1CA12CA1
SCHEMBL22076564 0.79 F2 (0.51) F2F10PRSS1LOXL2POLB
SCHEMBL22010634 0.79 F2 (0.41) F2F10PRSS1CA12CA1
SCHEMBL22010636 0.77 F2 (0.39) F2F10PRSS1CA12CA1
SCHEMBL4446181 0.75 LOXL2 (0.62) CA12CA1CA2CA9LOXL2
SCHEMBL4410705 0.74 LOXL2 (0.56) CA12CA1CA2CA9LOXL2
SCHEMBL13099306 0.74 LOXL2 (0.56) CA12CA1CA2CA9LOXL2
SCHEMBL4410700 0.74 LOXL2 (0.56) CA12CA1CA2CA9LOXL2
Sulfamate SCHEMBL27924665 0.73 CA12 (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 10 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
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
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
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 F2 3654/4885F10 3953/4885PRSS1 773/4885

“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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