SCHEMBL21962332

SCHEMBL21962332

CC(C)c1cc(C#CC2CCCCC2)cc(C(C)C)c1CC(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 2/20 0.40
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
KCNH2 Q12809 1/20 0.35
PTGES O14684 2/20 0.34
PAX8 Q06710 2/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
IDH1 O75874 1/20 0.32
HAO1 Q9UJM8 2/20 0.32
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL21962096 0.88 FFAR1 (0.47) FFAR1FFAR4HSP90AA1HSP90AB1KCNH2
SCHEMBL22014946 0.87 FFAR1 (0.40) FFAR1FFAR4HSP90AA1HSP90AB1KCNH2
SCHEMBL25067270 0.87 FFAR1 (0.46) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL21962227 0.82 FFAR1 (0.37) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL25067113 0.77 FFAR1 (0.37) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL28626482 0.75 FFAR1 (0.39) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL21962203 0.73 GPR35 (0.35) FFAR1FFAR4
SCHEMBL25370112 0.72 NLRP3 (0.56) FFAR1FFAR4PTGES
SCHEMBL24593211 0.71 NLRP3 (0.56) FFAR1FFAR4PTGES
SCHEMBL23319862 0.70 SCN9A (0.38) FFAR1KCNH2

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
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
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 FFAR1 373/4885FFAR4 562/4885HSP90AA1 1078/4885

“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.