SCHEMBL20699072

SCHEMBL20699072

CC(C)c1ncc(F)c(C(C)C)c1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 3/20 0.36
KDM4E B2RXH2 2/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
GAA P10253 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
SLC22A12 Q96S37 1/20 0.30
P2RX7 Q99572 1/20 0.30
PANK3 Q9H999 1/20 0.30
PPARD Q03181 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
CAPN1 P07384 1/20 0.30

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
SCHEMBL20681218 0.88 TLR9 (0.35) KDM4EASPHKDM8P2RX7PANK3
SCHEMBL25138939 0.84
SCHEMBL24978104 0.78 GCGR (0.36)
SCHEMBL19475221 0.76 AGBL2 (0.39) AGBL2KDM4EGAAPTGDR2
SCHEMBL21962165 0.74 KDM4E (0.36) AGBL2KDM4EGAAPTGDR2SLC22A12
SCHEMBL23668375 0.73 AGBL2 (0.37) AGBL2KDM4EGAAPTGDR2
SCHEMBL29687503 0.73 AGBL2 (0.37) AGBL2KDM4EGAAPTGDR2
SCHEMBL21963321 0.72 RIPK1 (0.32) KDM4EASPHKDM8GAA
SCHEMBL18999981 0.72 TLR9 (0.31)
SCHEMBL19475598 0.71 EIF4A3 (0.37) AGBL2KDM4EGAAPTGDR2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391884-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-11-28 US disclosed
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-16 US disclosed
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-16 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-06-28 US disclosed
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-06-28 US disclosed
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-07-29 US disclosed
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-07-29 US disclosed
WO-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 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 (5 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-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 AGBL2 547/4885KDM4E 4525/4885ASPH 3900/4885
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP AGBL2 1478/4885KDM4E 4554/4885ASPH 4790/4885
US-20240391884-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 AGBL2 547/4885KDM4E 4525/4885ASPH 3900/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 AGBL2 455/4885KDM4E 4478/4885ASPH 3898/4885
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP AGBL2 1478/4885KDM4E 4554/4885ASPH 4790/4885

“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.