SCHEMBL1963025

SCHEMBL1963025

Cc1ccc(S(=O)(=O)OC(=CC2CCOCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.33
NOD1 Q9Y239 2/20 0.33
ALOX5 P09917 1/20 0.32
FPR1 P21462 1/20 0.31
HTR6 P50406 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.30
CFTR P13569 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1960759 0.93 ALOX5 (0.35) NOD2NOD1ALOX5CYP2C9CYP2C19
SCHEMBL1960760 0.93 ALOX5 (0.35) NOD2NOD1ALOX5CYP2C9CYP2C19
SCHEMBL1962053 0.90 MAPT (0.35) NOD2NOD1ALOX5HTR6PTGDR2
SCHEMBL1961671 0.88 L3MBTL1 (0.40) NOD2NOD1ALOX5CYP2C19PTGDR2
SCHEMBL1962581 0.85 ALOX5 (0.36) NOD2NOD1ALOX5CYP2C9CYP2C19
SCHEMBL1962583 0.85 ALOX5 (0.36) NOD2NOD1ALOX5CYP2C9CYP2C19
SCHEMBL1960880 0.84 RORC (0.39)
SCHEMBL1963698 0.83 MEN1 (0.35) NOD2NOD1ALOX5MEN1KMT2A
SCHEMBL1963699 0.83 MEN1 (0.35) NOD2NOD1ALOX5MEN1KMT2A
SCHEMBL1961227 0.83 NOD1 (0.36) NOD2NOD1ALOX5CYP2C9CYP2C19

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 NOD2 4541/4885NOD1 4386/4885ALOX5 1778/4885

“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.