SCHEMBL21625481

SCHEMBL21625481

CC(C)c1ncc2c(c1N)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
PTK2B Q14289 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
PKM P14618 1/20 0.32
DRD4 P21917 3/20 0.32
PIKFYVE Q9Y2I7 1/20 0.32
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ATM Q13315 1/20 0.31
DRD2 P14416 1/20 0.31
MEN1 O00255 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
BPTF Q12830 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL21127855 0.80 DRD4 (0.31) GAAPTK2BSMN1; SMN2DRD4HPGD
SCHEMBL24975328 0.80 DRD4 (0.37) GAAPTK2BSMN1; SMN2DRD4HPGD
SCHEMBL25681268 0.79 DRD4 (0.31) GAAPTK2BSMN1; SMN2DRD4HPGD
SCHEMBL17344774 0.76 NOS3 (0.33) GAAPTK2BNOS3NOS1NOS2
SCHEMBL21625487 0.75 HTT (0.45) GAASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL30112208 0.75 HTT (0.45) GAASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL21637172 0.75
SCHEMBL21625485 0.73 NLRP3 (0.35) SMN1; SMN2PKMHPGDKDM4EALDH1A1
SCHEMBL30043363 0.73 NLRP3 (0.35) SMN1; SMN2PKMHPGDKDM4EALDH1A1
SCHEMBL28538564 0.72 LNPEP (0.33) GAASMN1; SMN2HPGDKDM4EALDH1A1

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-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
US-20230159555-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS GENENTECH, INC. (US) 2023-05-25 US disclosed
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
CN-115461120-A Sulfonylimide compounds as NLRP3 modulators 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed
EP-3823726-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY F. Hoffmann-La Roche SA (CH) 2021-05-26 EP disclosed
CN-112437683-A Sulfonylurea compounds useful as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed
WO-2020018970-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed
WO-2020018970-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 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 (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 GAA 2193/4885PTK2B 3226/4885SMN1; SMN2 1849/4885
US-12617802-B2 Sulfonimidamide compounds as NLRP3 modulators NLRP3, NLRP1, PYCARD GAA 4667/4885PTK2B 1424/4885SMN1; SMN2 2586/4885
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 GAA 497/4885PTK2B 3956/4885SMN1; SMN2 2409/4885

“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.