SCHEMBL25749237

SCHEMBL25749237

COC(C)c1ccc2c(=O)n(CC(=O)N[C@H]3C[C@@](C)(O)C3)nc(C(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 9/20 0.49
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CHRNA7 P36544 3/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL24077073 0.92 NLRP3 (0.52) NLRP3TP53POLBCHRNA7HTT
SCHEMBL24077291 0.91 NLRP3 (0.47) NLRP3TP53POLBCHRNA7HTT
SCHEMBL24076405 0.86 NLRP3 (0.49) NLRP3TP53POLBCHRNA7THRB
SCHEMBL24077051 0.85 NLRP3 (0.53) NLRP3TP53POLBCHRNA7HTT
SCHEMBL26732418 0.85 NLRP3 (0.58) NLRP3POLBCHRNA7THRB
SCHEMBL26732419 0.85 NLRP3 (0.58) NLRP3POLBCHRNA7THRB
SCHEMBL24076326 0.85 NLRP3 (0.58) NLRP3POLBCHRNA7THRB
SCHEMBL24077114 0.85 NLRP3 (0.51) NLRP3POLBCHRNA7GPR139
SCHEMBL24077072 0.84 NLRP3 (0.51) NLRP3TP53POLBCHRNA7THRB
SCHEMBL24076938 0.84 NLRP3 (0.47) NLRP3TP53POLBCHRNA7GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — 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 (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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885TP53 1670/4885POLB 3231/4885

“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.

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