SCHEMBL26313780

SCHEMBL26313780

CCCN(CCC)S(=O)(=O)c1ccc(-c2nc(CC)co2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.47
▸ CA12 O43570 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CA2 P00918 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ ABCC2 Q92887 1/20 0.46
▸ SLC22A12 Q96S37 1/20 0.46
▸ UGT1A7 Q9HAW7 1/20 0.46
▸ SLC22A11 Q9NSA0 1/20 0.46
▸ ADORA2B P29275 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA1 P00915 1/20 0.43

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
SCHEMBL26313777 0.90 TP53 (0.45) TP53CA12CA9SMN1; SMN2CA2
SCHEMBL26313787 0.84 TP53 (0.43) TP53CA12CA9SMN1; SMN2CA2
SCHEMBL26313790 0.84 CA12 (0.41) TP53CA12CA9SMN1; SMN2CA2
Hydrochloric Acid SCHEMBL30321030 0.83 TP53 (0.42) TP53CA12CA9SMN1; SMN2CA2
Bromide SCHEMBL30321033 0.82 CA12 (0.42) TP53CA12CA9SMN1; SMN2CA2
SCHEMBL26313819 0.82 CA9 (0.45) CA12CA9SMN1; SMN2CA2RAB9A
SCHEMBL26313789 0.80 MMP2 (0.40) TP53
SCHEMBL26313795 0.77 TP53 (0.43) TP53CA12CA9SMN1; SMN2CA2
SCHEMBL7158031 0.70 ESR1 (0.44) —
SCHEMBL14294336 0.70 LMNA (0.52) SMN1; SMN2RAB9ALMNAHTT

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 1 patent. 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

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 TP53 315/4885CA12 3513/4885CA9 2197/4885

“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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