SCHEMBL26313789

SCHEMBL26313789

CCCN(CCC)S(=O)(=O)c1ccc(-c2nc(CCCCCN=[N+]=[N-])co2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 1/20 0.37

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
SCHEMBL26313787 0.85 TP53 (0.43) PPARGPPARAALDH1A1GAATP53
SCHEMBL26313790 0.85 CA12 (0.41) PPARGPPARAALDH1A1GAATP53
Hydrochloric Acid SCHEMBL30321030 0.84 TP53 (0.42) PPARGPPARAALDH1A1GAATP53
SCHEMBL26313819 0.81 CA9 (0.45) PPARGPPARA
SCHEMBL26315186 0.80 PPARG (0.46) PPARGPPARA
SCHEMBL26313780 0.80 TP53 (0.47) TP53
SCHEMBL25415410 0.79 CNR2 (0.46) —
SCHEMBL26313777 0.78 TP53 (0.45) TP53
SCHEMBL24162765 0.77 CNR2 (0.47) —
Bromide SCHEMBL30321033 0.75 CA12 (0.42) GAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, LTD. (KY) 2023-08-17 — — US disclosed
CN-115989219-A Probenecid compounds for the treatment of inflammasome-mediated pulmonary diseases 贝凯恩生物医疗技术有限公司 2023-04-18 — — CN 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-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE NLRP3, PYCARD, NLRP1 MMP2 2429/4885MMP9 907/4885MMP8 127/4885

“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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