SCHEMBL1962029

SCHEMBL1962029

COCCS(=O)(=O)c1ccc(C(=CC2CCCC2)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.32
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
KCNH2 Q12809 1/20 0.31
CNR2 P34972 1/20 0.31
RIPK1 Q13546 1/20 0.31
GCK P35557 3/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL1962026 1.00 FKBP1A (0.32) FKBP1ANOD2NOD1KCNH2CNR2
SCHEMBL1963003 0.93 SYK (0.31) NOD2NOD1
SCHEMBL1963551 0.88 GCK (0.38) FKBP1AKCNH2CNR2GCKHPGD
SCHEMBL1963553 0.88 GCK (0.38) FKBP1AKCNH2CNR2GCKHPGD
SCHEMBL1962772 0.87 PTGS2 (0.37) GCKALDH1A1
SCHEMBL1962775 0.87 PTGS2 (0.37) GCKALDH1A1
SCHEMBL1960805 0.86 NOD2 (0.35) NOD2NOD1ALDH1A1
SCHEMBL1960804 0.86 NOD2 (0.35) NOD2NOD1ALDH1A1
SCHEMBL1961209 0.86 ALDH1A1 (0.36) CNR2GCKALDH1A1LMNA
SCHEMBL1961207 0.86 ALDH1A1 (0.36) CNR2GCKALDH1A1LMNA

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 FKBP1A 3485/4885NOD2 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.