SCHEMBL1963108

SCHEMBL1963108

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34
GBA1 P04062 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
PSMD10 O75832 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL1963106 1.00 NOD2 (0.36) NOD2NOD1TSHRMAPK1ALOX5
SCHEMBL1962583 0.90 ALOX5 (0.36) NOD2NOD1ALOX5ALDH1A1CYP2C9
SCHEMBL1962581 0.90 ALOX5 (0.36) NOD2NOD1ALOX5ALDH1A1CYP2C9
SCHEMBL1961132 0.88 LMNA (0.36) NOD2NOD1ALOX5ALDH1A1KMT2A
SCHEMBL1960504 0.88 LMNA (0.36) NOD2NOD1ALOX5ALDH1A1KMT2A
SCHEMBL1960503 0.88 LMNA (0.36) NOD2NOD1ALOX5ALDH1A1KMT2A
SCHEMBL1960760 0.87 ALOX5 (0.35) NOD2NOD1ALOX5ALDH1A1CYP2C9
SCHEMBL1960759 0.87 ALOX5 (0.35) NOD2NOD1ALOX5ALDH1A1CYP2C9
SCHEMBL1962633 0.86 NOD1 (0.38) NOD2NOD1ALOX5ALDH1A1CYP2C9
SCHEMBL1962631 0.86 NOD1 (0.38) NOD2NOD1ALOX5ALDH1A1CYP2C9

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 4386/4885TSHR 2850/4885

“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.