SCHEMBL26313799

SCHEMBL26313799

CCCN(CCC)S(=O)(=O)c1ccc(CCCCCCCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 9/20 0.57
CA12 O43570 8/20 0.57
CA2 P00918 3/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
ABCC2 Q92887 1/20 0.57
SLC22A12 Q96S37 1/20 0.57
UGT1A7 Q9HAW7 1/20 0.57
SLC22A11 Q9NSA0 1/20 0.57
CA1 P00915 6/20 0.52
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CNR2 P34972 1/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
S1PR2 O95136 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL24162306 0.91 CA9 (0.56) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL26313770 0.85 CA2 (0.56) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL13508534 0.84 FFAR1 (0.55) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL24162766 0.83 CA2 (0.55) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL13508502 0.82 LMNA (0.59) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL3690228 0.82 CA9 (0.49) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL26313763 0.82 CA12 (0.50) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL5046426 0.81 CNR2 (0.61) CNR2KEAP1NFE2L2
SCHEMBL9795890 0.81 CA2 (0.60) CA9CA12CA2RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30321031 0.81 CA12 (0.49) CA9CA12CA2RAB9ASMN1; 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 2197/4885CA12 3513/4885CA2 3362/4885

“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.