SCHEMBL3489113

SCHEMBL3489113

CC(C)(C)OC(=O)N1CCSC(CBr)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.38
PREP P48147 1/20 0.37
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
GLS O94925 2/20 0.36
EPHX2 P34913 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL305388 0.87 NR1H2 (0.50) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL14242316 0.85 NR1H2 (0.42) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL5190564 0.84 NR1H2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL31616175 0.83 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL29283753 0.80 NR1H2 (0.38) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL9668776 0.80 NR1H2 (0.38) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL25625800 0.76 NR1H2 (0.51) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL160579 0.76 USP2 (0.42) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3488636 0.75 KDM4E (0.47) MEN1KMT2AJAK2JAK1GPR119
SCHEMBL27189660 0.75 USP2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 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-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 NR1H2 4137/4885MEN1 3151/4885ALDH1A1 4166/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 NR1H2 4137/4885MEN1 3151/4885ALDH1A1 4166/4885

“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.