SCHEMBL26313819

SCHEMBL26313819

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA12 O43570 3/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ ABCC2 Q92887 1/20 0.45
▸ SLC22A12 Q96S37 1/20 0.45
▸ UGT1A7 Q9HAW7 1/20 0.45
▸ SLC22A11 Q9NSA0 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ CA1 P00915 3/20 0.42

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
SCHEMBL26313790 0.87 CA12 (0.41) CA9CA2CA12RAB9ASMN1; SMN2
SCHEMBL26313787 0.85 TP53 (0.43) CA9CA2CA12RAB9ASMN1; SMN2
SCHEMBL26313780 0.82 TP53 (0.47) CA9CA2CA12RAB9ASMN1; SMN2
SCHEMBL26313789 0.81 MMP2 (0.40) PPARGPPARA
SCHEMBL26313777 0.80 TP53 (0.45) CA9CA2CA12RAB9ASMN1; SMN2
SCHEMBL26313659 0.78 PPARG (0.57) PPARGPPARA
SCHEMBL26313799 0.76 CA9 (0.57) CA9CA2CA12RAB9ASMN1; SMN2
SCHEMBL24162481 0.76 CA9 (0.46) CA9CA2CA12RAB9ASMN1; SMN2
SCHEMBL24162306 0.75 CA9 (0.56) CA9CA2CA12RAB9ASMN1; SMN2
SCHEMBL26313795 0.70 TP53 (0.43) CA9CA2CA12RAB9ASMN1; SMN2

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 CA9 2197/4885CA2 3362/4885CA12 3513/4885

“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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