SCHEMBL1963908

SCHEMBL1963908

CC(C)Oc1cnc2c(c1)cc(/C(=C/C1CCCC1)c1ccc(S(C)(=O)=O)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 5/20 0.33
GCK P35557 4/20 0.33
PTGS2 P35354 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PDPK1 O15530 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.30
KDM4E B2RXH2 1/20 0.30
RORC P51449 1/20 0.30
DHCR7 Q9UBM7 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
SCHEMBL1963909 1.00 PTGDR (0.33) PTGDRGCKPTGS2HDAC3HDAC4
SCHEMBL1960949 0.91 HDAC3 (0.37) GCKPTGS2HDAC3HDAC4HDAC1
SCHEMBL1960951 0.91 HDAC3 (0.37) GCKPTGS2HDAC3HDAC4HDAC1
SCHEMBL1961899 0.90 HDAC3 (0.37) GCKPTGS2HDAC3HDAC4HDAC1
SCHEMBL1961900 0.90 HDAC3 (0.37) GCKPTGS2HDAC3HDAC4HDAC1
SCHEMBL1962978 0.88 GCK (0.35) GCKHDAC3HDAC4HDAC1HDAC7
SCHEMBL1962977 0.88 GCK (0.35) GCKHDAC3HDAC4HDAC1HDAC7
SCHEMBL1960924 0.87 GCK (0.35) GCKPTGS2
SCHEMBL1960958 0.87 PTGS2 (0.36) GCKPTGS2PTGDR2
SCHEMBL1960957 0.87 PTGS2 (0.36) GCKPTGS2PTGDR2

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 PTGDR 2060/4885GCK 1/4885PTGS2 1580/4885

“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.