SCHEMBL1962889

SCHEMBL1962889

COCc1cnc2c(c1)cc(C(O)CC1CCCC1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.34
IDO1 P14902 6/20 0.34
TDO2 P48775 6/20 0.34
RECQL P46063 1/20 0.34
FKBP1A P62942 3/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
BRD4 O60885 1/20 0.32
BCHE P06276 1/20 0.31
HTR6 P50406 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL27889471 0.89 AADAT (0.37) AADATFKBP1AHPGD
SCHEMBL1961925 0.87 FKBP1A (0.36) IDO1TDO2RECQLFKBP1AHTR6
SCHEMBL1961549 0.86 IDO1 (0.36) IDO1TDO2RECQLFKBP1AHTR6
SCHEMBL1962077 0.86 PDE5A (0.38) IDO1TDO2RECQLPDE5APDE4A
SCHEMBL1959421 0.85 KDM4E (0.36)
SCHEMBL1963563 0.84 RECQL (0.36) IDO1TDO2RECQLPDE5APDE4A
SCHEMBL1960371 0.84 PTGDR (0.34) IDO1TDO2RECQLBCHEHTR6
SCHEMBL27889611 0.83 CASP3 (0.34) IDO1TDO2RECQLFKBP1ABRD4
SCHEMBL1958810 0.83 SMN1; SMN2 (0.35) IDO1TDO2RECQLPDE5APDE4A
SCHEMBL1959207 0.82 AADAT (0.36) AADATFKBP1ABCHEHTR6HPGD

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
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
CN-102686587-A Azaindole glucokinase activators HOFFMANN LA ROCHE 2012-09-19 CN disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 AADAT 154/4885IDO1 1537/4885TDO2 1528/4885

“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.