SCHEMBL1962368

SCHEMBL1962368

CC(C)C=C(c1ccc(S(C)(=O)=O)cc1)c1cc2cc(F)cnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.40
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
AKR1C3 P42330 1/20 0.33
ALDH3A1 P30838 1/20 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
SCHEMBL1962367 1.00 PTGS2 (0.40) PTGS2NOD2NOD1PTGDR2AKR1C3
SCHEMBL1960804 0.86 NOD2 (0.35) NOD2NOD1PTGDR2
SCHEMBL1960805 0.86 NOD2 (0.35) NOD2NOD1PTGDR2
SCHEMBL1961492 0.86 PTGS2 (0.40) PTGS2NOD2NOD1
SCHEMBL1961490 0.86 PTGS2 (0.40) PTGS2NOD2NOD1
SCHEMBL1962772 0.84 PTGS2 (0.37) PTGS2AKR1C3
SCHEMBL1962775 0.84 PTGS2 (0.37) PTGS2AKR1C3
SCHEMBL1961002 0.83 NOD2 (0.35) NOD2NOD1PTGDR2
SCHEMBL1961001 0.83 NOD2 (0.35) NOD2NOD1PTGDR2
SCHEMBL1961603 0.82 GCK (0.39) PTGS2PTGDR2

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 PTGS2 1580/4885NOD2 4541/4885NOD1 4386/4885

“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.