SCHEMBL24872202

SCHEMBL24872202

C[C@@H]1CCc2c1nc1c(c2NC(=O)OCC(Cl)(Cl)Cl)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.46
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
ACHE P22303 4/20 0.34
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IGF1R P08069 1/20 0.30
CYP2C19 P33261 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
SCHEMBL30120751 1.00 NLRP3 (0.46) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL24979139 1.00 NLRP3 (0.46) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL21962969 1.00 NLRP3 (0.46) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL30162388 1.00 NLRP3 (0.46) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL22021168 0.90 POLB (0.35) NLRP3ALDH1A1POLB
SCHEMBL30162295 0.88 USP2 (0.38) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL22020311 0.87 NLRP3 (0.48) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL30120777 0.87 NLRP3 (0.48) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL22020329 0.87 CYP1A2 (0.38) NLRP3USP2CYP1A2GAAMAPT
SCHEMBL22021201 0.87 GAA (0.41) NLRP3USP2CYP1A2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US 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 (2 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885USP2 4117/4885CYP1A2 1790/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885USP2 4161/4885CYP1A2 1884/4885

“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.