Sugi Predict

Sugi Predict / Compounds / SCHEMBL22802385

SCHEMBL22802385

SCHEMBL22802385

COc1cc(-c2ccc3c(c2CC(=O)OC(C)(C)C)CCC3)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.55
▸ AAK1 Q2M2I8 1/20 0.39
▸ NR4A2 P43354 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ SLC13A5 Q86YT5 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ACVR2A P27037 1/20 0.33
▸ TGFBR2 P37173 1/20 0.33
▸ EGLN1 Q9GZT9 2/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ PDE3B Q13370 1/20 0.33

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
SCHEMBL29492920 1.00 NLRP3 (0.55) NLRP3AAK1NR4A2DHODHKDM4E
SCHEMBL23012413 0.87 NLRP3 (0.42) NLRP3AAK1KDM4EALDH1A1HPGD
SCHEMBL29757351 0.87 NLRP3 (0.42) NLRP3AAK1KDM4EALDH1A1HPGD
SCHEMBL29691325 0.87 NLRP3 (0.42) NLRP3AAK1KDM4EALDH1A1HPGD
SCHEMBL22802368 0.86 NLRP3 (0.59) NLRP3NR4A2DHODHSLC13A5PDE3B
SCHEMBL22802356 0.85 NLRP3 (0.58) NLRP3NR4A2DHODHSLC13A5EGLN1
SCHEMBL22802381 0.84 NLRP3 (0.54) NLRP3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30163238 0.84 NLRP3 (0.54) NLRP3KDM4EALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL30163366 0.83 NLRP3 (0.54) NLRP3NR4A2DHODHSLC13A5PDE3B
SCHEMBL22867121 0.82 NLRP3 (0.40) NLRP3KDM4EALDH1A1HPGDHSD17B10

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168653-B2 Sulfonamide derivates as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2024-12-17 — — US disclosed
US-12030879-B2 Sulfonyl acetamides as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2024-07-09 — — US disclosed
US-11884645-B2 Sulfonyl acetamides as NLRP3 inhibitors INFLAZOME LIMITED (IE) 2024-01-30 — — US disclosed
US-11530200-B2 Compounds INFLAZOME LIMITED (IE) 2022-12-20 — — US disclosed
US-11530200-B2 Compounds INFLAZOME LIMITED (IE) 2022-12-20 — — US disclosed
US-20220106289-A1 NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-04-07 — — US disclosed
US-20220106289-A1 NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-04-07 — — US disclosed
EP-3883646-A1 NLRP3 INHIBITORS Inflazome Limited (IE) 2021-09-29 — — EP disclosed
CN-113164763-A NLRP3 inhibitor 英夫拉索姆有限公司 2021-07-23 — — CN disclosed
CN-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 — — CN disclosed
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 — — EP disclosed
US-20210047302-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-02-18 — — US disclosed
US-20210047302-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-02-18 — — US disclosed
US-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 — — US disclosed
US-20210002274-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2021-01-07 — — US disclosed
US-20200407340-A1 SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2020-12-31 — — US disclosed
US-20200407340-A1 SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2020-12-31 — — US disclosed
US-20200399243-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2020-12-24 — — US disclosed
US-20200399243-A1 NOVEL COMPOUNDS INFLAZOME LIMITED (IE) 2020-12-24 — — US 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 (9 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-20210047302-A1 NOVEL COMPOUNDS NLRP3, NOD1, CBR3 NLRP3 1/4885AAK1 4463/4885NR4A2 438/4885
US-12030879-B2 Sulfonyl acetamides as NLRP3 inhibitors NLRP3, NOD1, NLRP1 NLRP3 1/4885AAK1 2378/4885NR4A2 895/4885
US-20200407340-A1 SULFONAMIDE DERIVATES AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 NLRP3 1/4885AAK1 4222/4885NR4A2 484/4885
US-20220106289-A1 NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 NLRP3 1/4885AAK1 2058/4885NR4A2 949/4885
US-20200399243-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 NLRP3 1/4885AAK1 4420/4885NR4A2 393/4885
US-11884645-B2 Sulfonyl acetamides as NLRP3 inhibitors NLRP3, NOD1, ABCC5 NLRP3 1/4885AAK1 2715/4885NR4A2 682/4885
US-20210002274-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 NLRP3 1/4885AAK1 4166/4885NR4A2 445/4885
US-12168653-B2 Sulfonamide derivates as NLRP3 inhibitors NLRP3, NOD1, NLRP1 NLRP3 1/4885AAK1 4222/4885NR4A2 484/4885
US-11530200-B2 Compounds NLRP3, NOD1, NLRP1 NLRP3 1/4885AAK1 4584/4885NR4A2 767/4885

“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.