SCHEMBL309527

SCHEMBL309527

CC1(C)CC(=O)CC(=O)C1.[Ar]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
ALOX15 P16050 1/20 0.45
MAOA P21397 1/20 0.42
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 5/20 0.36
HTT P42858 1/20 0.33
GLA P06280 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
SCHEMBL123127 0.97 ALDH1A1 (0.47) ALDH1A1ALOX15MAOAMAPTKDM4E
SCHEMBL9336430 0.97 ALDH1A1 (0.47) ALDH1A1ALOX15MAOAMAPTKDM4E
Bromide SCHEMBL6744490 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
SCHEMBL9413781 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Iodide SCHEMBL16764629 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Iodide SCHEMBL2127044 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Bromide SCHEMBL7687601 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Water SCHEMBL4753900 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Hydrochloric Acid SCHEMBL3316045 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E
Hydrochloric Acid SCHEMBL2838012 0.94 ALDH1A1 (0.45) ALDH1A1ALOX15MAOAMAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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 (2 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP ALDH1A1 2720/4885ALOX15 1806/4885MAOA 618/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP ALDH1A1 2566/4885ALOX15 2619/4885MAOA 1015/4885

“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.