SCHEMBL29030797

SCHEMBL29030797

CCc1nc2c(C(C)C)nn(CC(=O)O)c(=O)c2s1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.43
ALOX15 P16050 1/20 0.36
AKR1B1 P15121 3/20 0.34
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
LMNA P02545 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
GAA P10253 1/20 0.30
AKR1A1 P14550 1/20 0.30

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
SCHEMBL29660925 0.87 KDM4E (0.41) NLRP3ALDH1A1GAA
SCHEMBL29030778 0.79 NLRP3 (0.60) NLRP3SMN1; SMN2
SCHEMBL29660853 0.78 NLRP3 (0.50) NLRP3ALDH1A1SMN1; SMN2GAA
SCHEMBL29660863 0.73 KDM4E (0.42) NLRP3ALDH1A1GAA
SCHEMBL29660885 0.72 KDM4E (0.41) NLRP3ALDH1A1GAA
SCHEMBL29660828 0.72 NLRP3 (0.59) NLRP3ALDH1A1SMN1; SMN2
SCHEMBL29660870 0.72 KDM4E (0.40) NLRP3ALDH1A1GAA
SCHEMBL31305739 0.71 ALOX15 (0.38) NLRP3ALOX15AKR1B1ALDH1A1LMNA
SCHEMBL29660723 0.70 KDM4E (0.39) NLRP3ALDH1A1GAA
SCHEMBL29660847 0.70 KDM4E (0.39) NLRP3ALDH1A1GAA

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-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
CN-116194445-A New compounds 詹森药业有限公司 2023-05-30 CN disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 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-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885ALOX15 1000/4885AKR1B1 296/4885

“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.