SCHEMBL26313787

SCHEMBL26313787

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA9 Q16790 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
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
Hydrochloric Acid SCHEMBL30321030 0.99 TP53 (0.42) TP53ALDH1A1GAACA12CA2
SCHEMBL26313790 0.89 CA12 (0.41) TP53ALDH1A1GAACA12CA2
SCHEMBL26313819 0.85 CA9 (0.45) CA12CA2RAB9ASMN1; SMN2CA9
SCHEMBL26313789 0.85 MMP2 (0.40) TP53ALDH1A1GAAPPARGPPARA
SCHEMBL26313780 0.84 TP53 (0.47) TP53CA12CA2RAB9ASMN1; SMN2
SCHEMBL26313777 0.82 TP53 (0.45) TP53CA12CA2RAB9ASMN1; SMN2
SCHEMBL24162471 0.76 SMN1; SMN2 (0.49) CA12CA2RAB9ASMN1; SMN2CA9
SCHEMBL26313652 0.76 PPARG (0.49) PPARGPPARA
SCHEMBL26313763 0.76 CA12 (0.50) CA12CA2RAB9ASMN1; SMN2CA9
Hydrochloric Acid SCHEMBL30321031 0.75 CA12 (0.49) CA12CA2RAB9ASMN1; SMN2CA9

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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