SCHEMBL1962633

SCHEMBL1962633

COC(=O)c1cnc2c(c1)cc(C(=CC(C)C)OS(=O)(=O)c1ccc(C)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.38
NOD2 Q9HC29 1/20 0.38
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
GBA1 P04062 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33

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
SCHEMBL1962631 1.00 NOD1 (0.38) NOD1NOD2CYP2C9CYP2C19CYP3A4
SCHEMBL1961226 0.86 NOD1 (0.36) NOD1NOD2CYP2C9CYP2C19CYP3A4
SCHEMBL1961227 0.86 NOD1 (0.36) NOD1NOD2CYP2C9CYP2C19CYP3A4
SCHEMBL1963106 0.86 NOD2 (0.36) NOD1NOD2CYP2C9CYP2C19CYP3A4
SCHEMBL1963108 0.86 NOD2 (0.36) NOD1NOD2CYP2C9CYP2C19CYP3A4
SCHEMBL1960334 0.84 L3MBTL1 (0.42) NOD1NOD2CYP2C19ALDH1A1MAPT
SCHEMBL1961490 0.82 PTGS2 (0.40) NOD1NOD2CYP2C9CYP2C19CYP3A4
SCHEMBL1961492 0.82 PTGS2 (0.40) NOD1NOD2CYP2C9CYP2C19CYP3A4
SCHEMBL1961745 0.77 NAMPT (0.37) NOD1NOD2ALDH1A1POLBMAPT
SCHEMBL1962581 0.74 ALOX5 (0.36) NOD1NOD2CYP2C9CYP2C19CYP3A4

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 NOD1 4386/4885NOD2 4541/4885CYP2C9 1202/4885

“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.