SCHEMBL24077053

SCHEMBL24077053

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.56
▸ ALOX15 P16050 2/20 0.42
▸ AKR1B1 P15121 8/20 0.41
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL24077152 0.93 NLRP3 (0.56) NLRP3ALOX15AKR1B1POLBRAB9A
SCHEMBL24076327 0.92 NLRP3 (0.64) NLRP3ALOX15AKR1B1
SCHEMBL30168567 0.92 NLRP3 (0.64) NLRP3ALOX15AKR1B1
SCHEMBL24077049 0.90 NLRP3 (0.52) NLRP3ALOX15AKR1B1POLBRAB9A
SCHEMBL24077347 0.89 NLRP3 (0.55) NLRP3ALOX15AKR1B1POLBRAB9A
SCHEMBL24077043 0.89 NLRP3 (0.52) NLRP3ALOX15AKR1B1POLBRAB9A
SCHEMBL24076983 0.87 NLRP3 (0.51) NLRP3POLBKMT2A
SCHEMBL30231169 0.87 NLRP3 (0.51) NLRP3POLBKMT2A
SCHEMBL24076943 0.86 NLRP3 (0.49) NLRP3ALOX15AKR1B1POLBRAB9A
SCHEMBL25747845 0.83 NLRP3 (0.56) NLRP3ALOX15AKR1B1

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 289/4885AKR1B1 162/4885

“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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