SCHEMBL22020741

SCHEMBL22020741

CCc1c(CC(F)(F)F)nc2c(c1NC(=O)OCC(Cl)(Cl)Cl)CCC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NLRP3 Q96P20 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ACHE P22303 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL22021214 0.88 GAA (0.38) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL30162517 0.88 GAA (0.38) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL22021200 0.85 GAA (0.41) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL30162318 0.85 GAA (0.41) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL22020309 0.84 CYP1A2 (0.43) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL22021211 0.83 NLRP3 (0.36) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL22019953 0.81 USP2 (0.50) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL22021170 0.80 CYP1A2 (0.40) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL22021202 0.79 USP2 (0.48) GAACYP1A2KDM4EMAPTUSP2
SCHEMBL31651306 0.79 USP2 (0.48) GAACYP1A2KDM4EMAPTUSP2

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
EP-4667054-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2025-12-24 EP disclosed
EP-3880660-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2025-07-02 EP disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
WO-2020102096-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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 GAA 1444/4885CYP1A2 1790/4885KDM4E 4525/4885

“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.