SCHEMBL1961490

SCHEMBL1961490

COC(=O)c1cnc2c(c1)cc(/C(=C/C(C)C)c1ccc(S(C)(=O)=O)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
FBP1 P09467 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL1961492 1.00 PTGS2 (0.40) PTGS2NR1H2NR1H3ALDH1A1KDM4E
SCHEMBL1962367 0.86 PTGS2 (0.40) PTGS2NOD2NOD1
SCHEMBL1962368 0.86 PTGS2 (0.40) PTGS2NOD2NOD1
SCHEMBL1963266 0.85 PTGS2 (0.38) PTGS2NR1H2NR1H3ALDH1A1KDM4E
SCHEMBL1963267 0.85 PTGS2 (0.38) PTGS2NR1H2NR1H3ALDH1A1KDM4E
SCHEMBL1962633 0.82 NOD1 (0.38) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1962631 0.82 NOD1 (0.38) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1961002 0.80 NOD2 (0.35) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL1961001 0.80 NOD2 (0.35) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL1961745 0.79 NAMPT (0.37) NR1H2NR1H3ALDH1A1KDM4ENPC1

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 1580/4885NR1H2 2816/4885NR1H3 3081/4885

“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.