SCHEMBL1960933

SCHEMBL1960933

CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)c2cc3cc(OCCO)cnc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 7/20 0.55
ABL1 P00519 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK3 P52333 1/20 0.33
PTGS2 P35354 8/20 0.33
PTGS1 P23219 3/20 0.33
ATR Q13535 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 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
SCHEMBL1960935 1.00 GCK (0.55) GCKABL1KMT2AJAK3PTGS2
SCHEMBL1959058 0.92 GCK (0.56) GCKABL1KMT2APTGS2ATR
SCHEMBL1959057 0.92 GCK (0.56) GCKABL1KMT2APTGS2ATR
SCHEMBL1959396 0.91 GCK (0.53) GCKKMT2APDE3BPDE3AP2RY12
SCHEMBL1959397 0.91 GCK (0.53) GCKKMT2APDE3BPDE3AP2RY12
SCHEMBL1961701 0.90 GCK (0.59) GCKABL1KMT2AJAK3PTGS2
SCHEMBL1961702 0.90 GCK (0.59) GCKABL1KMT2AJAK3PTGS2
SCHEMBL1962902 0.89 GCK (0.58) GCKKMT2AJAK3PTGS2PTGS1
SCHEMBL1962903 0.89 GCK (0.58) GCKKMT2AJAK3PTGS2PTGS1
SCHEMBL1959072 0.88 GCK (0.55) GCKABL1PTGS2

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
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP 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 GCK 1/4885ABL1 2649/4885KMT2A 1524/4885

“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.