SCHEMBL1963267

SCHEMBL1963267

COC(=O)c1cnc2c(c1)cc(C(=CC1CCCC1)c1ccc(S(C)(=O)=O)cc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
GCK P35557 3/20 0.36
CCR5 P51681 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
GLA P06280 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 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
SCHEMBL1963266 1.00 PTGS2 (0.38) PTGS2GCKCCR5NR1H2NR1H3
SCHEMBL1962228 0.92 GCK (0.35) PTGS2GCKNR1H2NR1H3GLA
SCHEMBL1962225 0.92 GCK (0.35) PTGS2GCKNR1H2NR1H3GLA
SCHEMBL1960951 0.89 HDAC3 (0.37) PTGS2GCKRAB9AHDAC3HDAC4
SCHEMBL1960949 0.89 HDAC3 (0.37) PTGS2GCKRAB9AHDAC3HDAC4
SCHEMBL1959339 0.88 GCK (0.33) GCKGLAGAAMAPTKDM4E
SCHEMBL1959340 0.88 GCK (0.33) GCKGLAGAAMAPTKDM4E
SCHEMBL1962521 0.88 ALDH1A1 (0.34) GCKGLAGAAMAPTKDM4E
SCHEMBL1962522 0.88 ALDH1A1 (0.34) GCKGLAGAAMAPTKDM4E
SCHEMBL1961899 0.88 HDAC3 (0.37) PTGS2GCKKDM4EALDH1A1HDAC3

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 1580/4885GCK 1/4885CCR5 4499/4885

“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.