SCHEMBL23720198

SCHEMBL23720198

C[C@H]1C(CC2CCCC2)C1(c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
GBA1 P04062 1/20 0.37
HTR7 P34969 2/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL23720100 0.83 GAA (0.36) GAAMCOLN3GBA1HTR7ALDH1A1
SCHEMBL23720025 0.83 GAA (0.36) GAAMCOLN3GBA1HTR7ALDH1A1
SCHEMBL23720030 0.76 GAA (0.42) GAAMCOLN3HTR7ACHEALDH1A1
SCHEMBL23720028 0.76 GAA (0.42) GAAMCOLN3HTR7ACHEALDH1A1
SCHEMBL23720199 0.74 TDP1 (0.38) GAAHTR7ALDH1A1
SCHEMBL23720197 0.69 GAA (0.37) GAAMCOLN3HTR7ACHEALDH1A1
SCHEMBL23720158 0.69 GAA (0.37) GAAMCOLN3HTR7ACHEALDH1A1
SCHEMBL23720115 0.69 GAA (0.37) GAAMCOLN3HTR7ACHEALDH1A1
SCHEMBL22063191 0.66 GAA (0.47) GAAMCOLN3GBA1HTR7ACHE
SCHEMBL23720015 0.65 GAA (0.45) GAAMCOLN3HTR7ACHEALDH1A1

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 4341/4885GBA1 571/4885

“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.