SCHEMBL25820331

SCHEMBL25820331

CC(C)c1cccc(CS(=O)(=O)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CA2 P00918 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MDM4 O15151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TYR P14679 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CA5A P35218 1/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL12545612 0.84 HDAC4 (0.42) HDAC4HDAC8CA2KDM4EMDM4
SCHEMBL17571925 0.80 ALDH1A1 (0.49) ALDH1A1TP53
SCHEMBL20682262 0.79 PNMT (0.53) CYP3A4
SCHEMBL20682264 0.79 ALDH1A1 (0.45) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL2650432 0.79 MAOA (0.44) CA2ALDH1A1CA1CYP3A4CA9
SCHEMBL18673914 0.79 GABRA1 (0.37) ALDH1A1
SCHEMBL21610782 0.78 PTPN5 (0.41) HDAC4HDAC8CA2KDM4EMDM4
SCHEMBL18494064 0.77 NPC1 (0.38) CA2KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL13722507 0.77 MAOA (0.46) CA2ALDH1A1CA1CYP3A4CA9
SCHEMBL19106116 0.77 IDO1 (0.44) CA2KDM4EALDH1A1CA1MAPT

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HDAC4 419/4885HDAC8 348/4885CA2 2962/4885

“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.