SCHEMBL17489376

SCHEMBL17489376

CN(C)c1cccc2cccc(S(=O)(=O)BI)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CA2 P00918 2/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ F2 P00734 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL17322787 0.81 GAA (0.59) GAAKDM4EMAPTCA2HTR6
SCHEMBL13242744 0.81 KDM4E (0.50) GAAKDM4EMAPTCA2HTR6
SCHEMBL8149846 0.80 CA2 (0.64) GAAKDM4EMAPTCA2HTR6
SCHEMBL14845761 0.80 GAA (0.61) GAAKDM4EMAPTCA2HTR6
SCHEMBL4889389 0.78 GAA (0.59) GAAKDM4EMAPTCA2HTR6
SCHEMBL9676821 0.78 GAA (0.59) GAAKDM4EMAPTCA2HTR6
SCHEMBL30116330 0.78 GAA (0.59) GAAKDM4EMAPTCA2HTR6
SCHEMBL15631840 0.77 GAA (0.57) GAAKDM4EMAPTCA2HTR6
SCHEMBL10048751 0.77 GAA (0.57) GAAKDM4EMAPTCA2HTR6
SCHEMBL15075265 0.75 GAA (0.55) GAAKDM4EMAPTCA2HTR6

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-20160030457-A1 TUMOR-SELECTIVE COMBINATION THERAPY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-02-04 — — 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-20160030457-A1 TUMOR-SELECTIVE COMBINATION THERAPY NQO1, KEAP1, MCL1 GAA 1004/4885KDM4E 4071/4885MAPT 3726/4885

“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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