SCHEMBL23720028

SCHEMBL23720028

C[C@H]1[C@H](C)C1(c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
HTR6 P50406 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PSIP1 O75475 1/20 0.39
ACHE P22303 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
PLA2G7 Q13093 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37

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
SCHEMBL23720030 1.00 GAA (0.42) GAAMCOLN3HTR6L3MBTL1PSIP1
SCHEMBL23720197 0.84 GAA (0.37) GAAMCOLN3HTR6L3MBTL1PSIP1
SCHEMBL23720115 0.84 GAA (0.37) GAAMCOLN3HTR6L3MBTL1PSIP1
SCHEMBL23720158 0.84 GAA (0.37) GAAMCOLN3HTR6L3MBTL1PSIP1
SCHEMBL23720199 0.77 TDP1 (0.38) GAAPSIP1ALDH1A1TDP1TSHR
SCHEMBL23720198 0.76 GAA (0.37) GAAMCOLN3ACHEALDH1A1PSEN1
SCHEMBL23720015 0.75 GAA (0.45) GAAMCOLN3HTR6L3MBTL1PSIP1
SCHEMBL16865181 0.73 GAA (0.48) GAAMCOLN3HTR6L3MBTL1PSIP1
SCHEMBL22063191 0.72 GAA (0.47) GAAMCOLN3HTR6L3MBTL1PSIP1
SCHEMBL23720156 0.70 GAA (0.38) GAAMCOLN3ALDH1A1PSEN1PSEN2

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-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 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-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 GAA 2833/4885MCOLN3 4341/4885HTR6 3570/4885

“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.