SCHEMBL1961671

SCHEMBL1961671

Cc1ccc(S(=O)(=O)OC(=CC2CCOCC2)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.39
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALOX5 P09917 1/20 0.35
ENPP3 O14638 1/20 0.34
ATM Q13315 1/20 0.33
RECQL P46063 1/20 0.33
CNR1 P21554 1/20 0.33
CFTR P13569 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1963603 0.93 L3MBTL1 (0.39) L3MBTL1PTGDR2NOD2NOD1CYP2C19
SCHEMBL1961211 0.93 L3MBTL1 (0.39) L3MBTL1PTGDR2NOD2NOD1CYP2C19
SCHEMBL1963025 0.88 NOD2 (0.33) PTGDR2NOD2NOD1CYP2C19ALDH1A1
SCHEMBL1962053 0.87 MAPT (0.35) L3MBTL1PTGDR2NOD2NOD1MAPT
SCHEMBL1961812 0.87 L3MBTL1 (0.37) L3MBTL1PTGDR2NOD2NOD1CYP2C19
SCHEMBL1961815 0.87 L3MBTL1 (0.37) L3MBTL1PTGDR2NOD2NOD1CYP2C19
SCHEMBL1961814 0.87 L3MBTL1 (0.37) L3MBTL1PTGDR2NOD2NOD1CYP2C19
SCHEMBL1962618 0.87 L3MBTL1 (0.34) L3MBTL1PTGDR2NOD2NOD1CYP2C19
SCHEMBL1962623 0.87 L3MBTL1 (0.34) L3MBTL1PTGDR2NOD2NOD1CYP2C19
SCHEMBL1962620 0.87 L3MBTL1 (0.34) L3MBTL1PTGDR2NOD2NOD1CYP2C19

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 L3MBTL1 4438/4885PTGDR2 1782/4885NOD2 4541/4885

“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.