SCHEMBL23037569

SCHEMBL23037569

CC(C)(C)OC(=O)NCCc1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.47
ATR Q13535 3/20 0.37
ATRIP Q8WXE1 3/20 0.37
BCHE P06276 1/20 0.37
NAMPT P43490 1/20 0.36
GRM2 Q14416 1/20 0.35
NQO2 P16083 1/20 0.35
JAK2 O60674 1/20 0.35
BRD4 O60885 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL27194820 0.86 NLRP3 (0.49) NLRP3NAMPTJAK2ROCK2ROCK1
Water SCHEMBL30837701 0.85 NLRP3 (0.48) NLRP3NAMPTJAK2ROCK2ROCK1
SCHEMBL23037689 0.83 BCHE (0.41) BCHEGRM2NQO2BRD4AAK1
Water SCHEMBL23037698 0.81 NLRP3 (0.43) NLRP3NAMPTJAK2
SCHEMBL27194819 0.81 NLRP3 (0.42) NLRP3NAMPT
SCHEMBL29325612 0.80 NLRP3 (0.51) NLRP3NAMPTJAK2ROCK2ROCK1
SCHEMBL29325634 0.80 NLRP3 (0.41) NLRP3NAMPTROCK2ROCK1
SCHEMBL23037625 0.80 NLRP3 (0.49) NLRP3ATRATRIPGRM2ROCK2
SCHEMBL29317951 0.80 NLRP3 (0.51) NLRP3JAK2
SCHEMBL29315928 0.80 NLRP3 (0.56) NLRP3NAMPTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
EP-4353235-A2 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2024-04-17 EP disclosed
CN-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN disclosed
CN-112521387-A NLRP3 modulators 先天肿瘤免疫公司 2021-03-19 CN disclosed
EP-3784670-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2021-03-03 EP disclosed
CN-112074516-A NLRP3 modulators 先天肿瘤免疫公司 2020-12-11 CN 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-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD NLRP3 1/4885ATR 3043/4885ATRIP 2913/4885

“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.