SCHEMBL1961002

SCHEMBL1961002

COC(=O)c1ccc(C(=CC(C)C)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MET P08581 5/20 0.34
KDM4E B2RXH2 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 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
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
KAT6A Q92794 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL1961001 1.00 NOD2 (0.35) NOD2NOD1METKDM4EHDAC3
SCHEMBL1963061 0.86 ALDH1A1 (0.35) NOD2NOD1KDM4EHDAC3HDAC4
SCHEMBL1963059 0.86 ALDH1A1 (0.35) NOD2NOD1KDM4EHDAC3HDAC4
SCHEMBL1963725 0.84 MAPK1 (0.35) NOD2NOD1KDM4EHDAC3HDAC4
SCHEMBL1962368 0.83 PTGS2 (0.40) NOD2NOD1PTGDR2
SCHEMBL1962367 0.83 PTGS2 (0.40) NOD2NOD1PTGDR2
SCHEMBL1962395 0.81 ALDH1A1 (0.34) NOD2NOD1KDM4EHDAC3HDAC4
SCHEMBL1962397 0.81 ALDH1A1 (0.34) NOD2NOD1KDM4EHDAC3HDAC4
SCHEMBL1960804 0.81 NOD2 (0.35) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL1960805 0.81 NOD2 (0.35) NOD2NOD1HDAC3HDAC4HDAC1

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 NOD2 4541/4885NOD1 4386/4885MET 3826/4885

“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.