SCHEMBL21962062

SCHEMBL21962062

Cc1c2c(cc(C3CC3)c1CC(=O)O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
RXRB P28702 6/20 0.36
RXRA P19793 5/20 0.36
RXRG P48443 4/20 0.36
NLRP3 Q96P20 4/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
P2RX7 Q99572 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
POLB P06746 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GPR35 Q9HC97 1/20 0.31
MAPT P10636 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
SCHEMBL22015026 0.82 NLRP3 (0.36) KDM4ENLRP3POLBMAPT
SCHEMBL25842400 0.77 NLRP3 (0.33) NLRP3P2RX7MAPT
SCHEMBL25067262 0.74 MEN1 (0.37) KDM4ENLRP3MAPT
SCHEMBL19475241 0.73 RXRB (0.42) KDM4ERXRBRXRARXRGNLRP3
SCHEMBL21962133 0.71 RXRB (0.40) KDM4ERXRBRXRARXRGNLRP3
SCHEMBL21962348 0.69 UGT2B17 (0.32) MAPT
SCHEMBL509185 0.68 PTGDR2 (0.39) KDM4EPTGDR2POLBMAPT
SCHEMBL25824365 0.68 MAPT (0.34) MAPT
SCHEMBL10309327 0.67 MAPT (0.38) KDM4ESLC22A12POLBMAPT
SCHEMBL21962290 0.66 GRIN2D (0.45) NLRP3MAPT

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 5 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
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 KDM4E 4478/4885RXRB 902/4885RXRA 772/4885

“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.