SCHEMBL24077142

SCHEMBL24077142

CC(C)c1nn(CC(=O)O)c(=O)c2ccc(C3CCC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.45
▸ ALOX15 P16050 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TLR9 Q9NR96 2/20 0.41
▸ TLR8 Q9NR97 2/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CHRNA7 P36544 2/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CMA1 P23946 1/20 0.35

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
SCHEMBL24077178 0.95 NLRP3 (0.46) NLRP3ALOX15TSHRTLR9TLR8
SCHEMBL24076331 0.87 CYP2C19 (0.47) NLRP3TLR9TLR8TLR7MEN1
SCHEMBL30231190 0.87 CYP2C19 (0.47) NLRP3TLR9TLR8TLR7MEN1
SCHEMBL26630483 0.84 TSHR (0.46) NLRP3TSHRTLR9TLR8TLR7
SCHEMBL29426489 0.84 TSHR (0.46) NLRP3TSHRTLR9TLR8TLR7
SCHEMBL24077179 0.83 NLRP3 (0.49) NLRP3ALOX15TSHRMEN1KMT2A
SCHEMBL24076986 0.82 GAA (0.48) NLRP3TLR9TLR8TLR7MEN1
SCHEMBL24077026 0.82 NLRP3 (0.46) NLRP3ALOX15TSHRTLR9TLR8
SCHEMBL25746221 0.80 RAB9A (0.52) NLRP3ALOX15TSHRKMT2ARAB9A
SCHEMBL30579889 0.80 MEN1 (0.40) ALOX15TSHRTLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885ALOX15 289/4885TSHR 4236/4885

“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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