SCHEMBL26313795

SCHEMBL26313795

CCCCC=Cc1coc(-c2ccc(S(=O)(=O)N(CCC)CCC)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ UGT1A7 Q9HAW7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADORA2B P29275 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 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
SCHEMBL25412881 0.85 LMNA (0.38) TP53ALDH1A1GAACA12CA9
SCHEMBL26313780 0.77 TP53 (0.47) TP53CA12CA9SMN1; SMN2CA2
SCHEMBL26313777 0.75 TP53 (0.45) TP53CA12CA9SMN1; SMN2CA2
SCHEMBL26313790 0.72 CA12 (0.41) TP53ALDH1A1GAACA12CA9
SCHEMBL26313787 0.72 TP53 (0.43) TP53ALDH1A1GAACA12CA9
Hydrochloric Acid SCHEMBL30321030 0.71 TP53 (0.42) TP53ALDH1A1GAACA12CA9
SCHEMBL26313819 0.70 CA9 (0.45) CA12CA9SMN1; SMN2CA2RAB9A
SCHEMBL26313789 0.68 MMP2 (0.40) TP53ALDH1A1GAA
Bromide SCHEMBL30321033 0.68 CA12 (0.42) TP53GAACA12CA9SMN1; SMN2
SCHEMBL16197648 0.64 ALDH1A1 (0.55) TP53ALDH1A1GAACA12CA9

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 315/4885ALDH1A1 1247/4885GAA 2886/4885

“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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