SCHEMBL24077038

SCHEMBL24077038

CC(C)c1nn(CC(=O)O)c(=O)c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.47
▸ GPR139 Q6DWJ6 11/20 0.43
▸ S1PR2 O95136 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ELANE P08246 1/20 0.40

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
SCHEMBL30636643 0.91 NLRP3 (0.46) NLRP3GPR139
SCHEMBL26732715 0.90 NLRP3 (0.47) NLRP3GPR139
SCHEMBL29426614 0.90 NLRP3 (0.47) NLRP3GPR139
SCHEMBL24077012 0.88 GAA (0.47) NLRP3GPR139ELANE
SCHEMBL24077044 0.87 NLRP3 (0.50) NLRP3GPR139ALOX15
SCHEMBL24077328 0.86 NLRP3 (0.47) NLRP3GPR139ALOX15
SCHEMBL30168576 0.86 NLRP3 (0.47) NLRP3GPR139ALOX15
SCHEMBL24076327 0.82 NLRP3 (0.64) NLRP3GPR139ALOX15
SCHEMBL30168567 0.82 NLRP3 (0.64) NLRP3GPR139ALOX15
SCHEMBL24077152 0.81 NLRP3 (0.56) NLRP3ALOX15

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 1/4885GPR139 1471/4885S1PR2 884/4885

“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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