SCHEMBL24077026

SCHEMBL24077026

CC(C)c1nn(CC(=O)O)c(=O)c2ccc(C3CC3(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.46
▸ ALOX15 P16050 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ HTT P42858 1/20 0.34
▸ CMA1 P23946 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34

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
SCHEMBL30231023 0.88 GAA (0.45) NLRP3POLBHTTKMT2A
SCHEMBL24077148 0.88 GAA (0.45) NLRP3POLBHTTKMT2A
SCHEMBL24077036 0.84 NLRP3 (0.49) NLRP3POLBHTT
SCHEMBL24077178 0.84 NLRP3 (0.46) NLRP3ALOX15POLBRAB9ATSHR
SCHEMBL24077142 0.82 NLRP3 (0.45) NLRP3ALOX15POLBRAB9ATSHR
SCHEMBL24076292 0.81 NLRP3 (0.46) NLRP3ALOX15POLBRAB9ATSHR
SCHEMBL24077179 0.81 NLRP3 (0.49) NLRP3ALOX15RAB9ATSHRSLC22A12
SCHEMBL24077027 0.79 NLRP3 (0.45) NLRP3ALOX15POLBRAB9ATSHR
SCHEMBL25749329 0.79 NLRP3 (0.46) NLRP3ALOX15MAPTKMT2A
SCHEMBL25746221 0.78 RAB9A (0.52) NLRP3ALOX15POLBRAB9ATSHR

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 289/4885POLB 3231/4885

“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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