SCHEMBL24077328

SCHEMBL24077328

COc1ccc2c(=O)n(CC(=O)O)nc(C(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 2/20 0.47
▸ AKR1B1 P15121 4/20 0.45
▸ GPR139 Q6DWJ6 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL30168576 1.00 NLRP3 (0.47) NLRP3AKR1B1GPR139ALOX15ALDH1A1
SCHEMBL24076914 0.87 GAA (0.50) NLRP3GPR139ALOX15ALDH1A1GAA
SCHEMBL24077038 0.86 NLRP3 (0.47) NLRP3GPR139ALOX15
SCHEMBL24076916 0.86 LMNA (0.42) NLRP3AKR1B1GPR139ALDH1A1GAA
SCHEMBL24077044 0.84 NLRP3 (0.50) NLRP3AKR1B1GPR139ALOX15ALDH1A1
SCHEMBL25746221 0.83 RAB9A (0.52) NLRP3AKR1B1GPR139ALOX15ALDH1A1
SCHEMBL24077179 0.83 NLRP3 (0.49) NLRP3AKR1B1ALOX15GAAKDM4E
SCHEMBL24077399 0.83 NLRP3 (0.45) NLRP3AKR1B1GPR139ALOX15KMT2A
SCHEMBL24076314 0.82 NLRP3 (0.65) NLRP3AKR1B1ALOX15KMT2A
SCHEMBL24077127 0.82 NLRP3 (0.48) NLRP3AKR1B1ALOX15KMT2A

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 4 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
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 — — CN 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 1/4885AKR1B1 162/4885GPR139 1471/4885

“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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