SCHEMBL29030778

SCHEMBL29030778

CC(C)c1nn(CC(=O)O)c(=O)c2sc(C3CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.60
AADAT Q8N5Z0 2/20 0.34
TP53 P04637 1/20 0.31
EPHX2 P34913 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29660806 0.89 NLRP3 (0.59) NLRP3AADATTP53SMN1; SMN2
SCHEMBL29660812 0.80 NLRP3 (0.63) NLRP3SMN1; SMN2
SCHEMBL29030797 0.79 NLRP3 (0.43) NLRP3SMN1; SMN2
SCHEMBL29660793 0.78 NLRP3 (0.49) NLRP3
SCHEMBL25332425 0.73 NLRP3 (0.40) NLRP3
SCHEMBL30355038 0.72 NLRP3 (0.46) NLRP3AADATSMN1; SMN2
SCHEMBL30646033 0.69 NLRP3 (0.33) NLRP3TP53EPHX2
SCHEMBL31305739 0.69 ALOX15 (0.38) NLRP3
SCHEMBL29660863 0.68 KDM4E (0.42) NLRP3
SCHEMBL29660852 0.68 NLRP3 (0.37) NLRP3

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 1/4885AADAT 2974/4885TP53 1639/4885

“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.