SCHEMBL26313592

SCHEMBL26313592

CCCN(CCC)S(=O)(=O)c1cccc(C(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 3/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
CA12 O43570 6/20 0.55
CA9 Q16790 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 2/20 0.55
CA2 P00918 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
ABCC2 Q92887 1/20 0.55
SLC22A12 Q96S37 1/20 0.55
UGT1A7 Q9HAW7 1/20 0.55
SLC22A11 Q9NSA0 1/20 0.55
CA1 P00915 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL8092422 0.88 CA9 (0.68) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL7021479 0.88 SMN1; SMN2 (0.64) ALDH1A1TSHRMAPTMAPK1NPSR1
SCHEMBL18767224 0.84 MAPT (0.55) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL4060524 0.83 ALDH1A1 (0.55) ALDH1A1TSHRGAAMAPTNPSR1
SCHEMBL11348726 0.82 CA9 (0.52) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL13651238 0.81 CA9 (0.76) ALDH1A1NPSR1CA12CA9SMN1; SMN2
SCHEMBL3653439 0.79 MEN1 (0.65) ALDH1A1TSHRGAAMAPTSMN1; SMN2
SCHEMBL11354745 0.79 CA9 (0.52) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL15838841 0.79 ALDH1A1 (0.66) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL4050803 0.78 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2RAB9AL3MBTL1

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 ALDH1A1 1247/4885TSHR 4813/4885GAA 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.