SCHEMBL310037

SCHEMBL310037

CC(C)(C)Cn1cc(C=O)cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.35
FFAR1 O14842 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 5/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
HDAC2 Q92769 2/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HDAC1 Q13547 1/20 0.30
PGR P06401 2/20 0.30

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
SCHEMBL26009309 0.84 FFAR1 (0.33) FFAR1ARALDH1A1HDAC2MAPT
SCHEMBL3319742 0.83 HDAC2 (0.36) HDAC2MAPTTDP1
SCHEMBL24346162 0.81
SCHEMBL125993 0.80
SCHEMBL1197473 0.77 L3MBTL1 (0.51) ALDH1A1HDAC2MAPTTDP1KDM4E
SCHEMBL26015708 0.77
SCHEMBL23138156 0.76 AR (0.45) PDK2FFAR1ADORA2AADORA1ADORA3
SCHEMBL15651826 0.76 ACHE (0.49) PDK2ALDH1A1JAK2MAPTTDP1
SCHEMBL13372710 0.76 LOXL2 (0.32) ALDH1A1MAPTTDP1KDM4EHPGD
SCHEMBL26009941 0.75 JAK2 (0.38) JAK1JAK3JAK2TYK2KDM4E

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 4 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-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 WO 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-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP PDK2 3645/4885FFAR1 2886/4885ADORA2A 3575/4885

“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.