SCHEMBL1962225

SCHEMBL1962225

COC(=O)c1cnc2c(c1)cc(/C(=C/C1CCCC1)c1ccc(S(C)(=O)=O)nc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.35
ALDH1A1 P00352 3/20 0.33
HDAC1 Q13547 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
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
SCHEMBL1962228 1.00 GCK (0.35) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1963266 0.92 PTGS2 (0.38) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1963267 0.92 PTGS2 (0.38) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1962522 0.88 ALDH1A1 (0.34) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1962521 0.88 ALDH1A1 (0.34) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1959340 0.87 GCK (0.33) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1959339 0.87 GCK (0.33) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1962970 0.86 GCK (0.41) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1962972 0.86 GCK (0.41) GCKALDH1A1HDAC1KDM4EHDAC3
SCHEMBL1959819 0.82 GCK (0.40) GCKALDH1A1HDAC1KDM4EHDAC3

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 GCK 1/4885ALDH1A1 769/4885HDAC1 306/4885

“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.