SCHEMBL25201648

SCHEMBL25201648

Brc1ccc2c(c1OCc1ccccc1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
DHODH Q02127 1/20 0.43
RXRB P28702 6/20 0.43
RXRA P19793 6/20 0.43
RXRG P48443 4/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM1A O60341 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL31310458 0.91 THRB (0.42) MAOBMAOADHODHTHRATHRB
SCHEMBL21806587 0.83 MAOA (0.46) MAOBMAOARXRBRXRARXRG
SCHEMBL22802353 0.79 RXRB (0.49) MAOBMAOARXRBRXRARXRG
SCHEMBL646805 0.78 ALDH1A1 (0.51) MAOBDHODHRXRBRXRARXRG
SCHEMBL4723735 0.77 DHODH (0.47) MAOBMAOADHODHTHRATHRB
SCHEMBL3289929 0.76 MAOB (0.40) MAOBMAOARXRBRXRARXRG
SCHEMBL31359535 0.74 MAOB (0.39) MAOBMAOADHODHRXRBRXRA
SCHEMBL25194199 0.74 MAOB (0.48) MAOBMAOADHODHTHRATHRB
SCHEMBL23870190 0.73 CXCR2 (0.52) MAOBRXRBRXRARXRGMRGPRX4
SCHEMBL23858971 0.73 RXRB (0.41) MAOBMAOARXRBRXRARXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators GENENTECH, INC. (US) 2026-05-05 US disclosed
US-20240336625-A1 SULFONIMIDAMDE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2024-10-10 US disclosed
CN-116063163-B Preparation method of 7- (benzyloxy) -2,4,5, 6-tetrahydro-1H-cyclobutadiene [ f ] indene-1-one 上海毕臣生化科技有限公司 2024-07-16 CN disclosed
CN-116063163-B Preparation method of 7- (benzyloxy) -2,4,5, 6-tetrahydro-1H-cyclobutadiene [ f ] indene-1-one 上海毕臣生化科技有限公司 2024-07-16 CN disclosed
CN-117677622-A Sulfonyl imide amide compounds and uses thereof 基因泰克公司 2024-03-08 CN disclosed
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
CN-116063163-A Preparation method of 7- (benzyloxy) -2,4,5, 6-tetrahydro-1H-cyclobutadiene [ f ] indene-1-one 上海毕臣生化科技有限公司 2023-05-05 CN disclosed
CN-116063163-A Preparation method of 7- (benzyloxy) -2,4,5, 6-tetrahydro-1H-cyclobutadiene [ f ] indene-1-one 上海毕臣生化科技有限公司 2023-05-05 CN disclosed
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed
EP-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP 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 (3 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-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS NLRP3, NLRP1, PYCARD MAOB 2568/4885MAOA 3087/4885DHODH 2189/4885
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators NLRP3, NLRP1, PYCARD MAOB 3430/4885MAOA 3324/4885DHODH 3419/4885
US-20240336625-A1 SULFONIMIDAMDE COMPOUNDS AND USES THEREOF NLRP3, PYCARD, NLRP1 MAOB 2844/4885MAOA 2959/4885DHODH 819/4885

“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.