SCHEMBL1961733

SCHEMBL1961733

CS(=O)(=O)c1ccc(/C(=C\C2CCC3(C2)OCCO3)c2cc3cccnc3n2S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MMP2 P08253 2/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.31
ANPEP P15144 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PDE4A P27815 3/20 0.31
PDE4B Q07343 3/20 0.31
PDE4C Q08493 3/20 0.31
PDE4D Q08499 3/20 0.31

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
SCHEMBL1961735 1.00 GCK (0.34) GCKALDH1A1LMNAMAPTMMP2
SCHEMBL1961732 1.00 GCK (0.34) GCKALDH1A1LMNAMAPTMMP2
SCHEMBL1963271 0.86 GCK (0.42) GCKALDH1A1LMNAMAPTCYP2C19
SCHEMBL1962960 0.82 ALDH1A1 (0.35) GCKALDH1A1LMNAMAPTCYP2C19
SCHEMBL1962959 0.82 ALDH1A1 (0.35) GCKALDH1A1LMNAMAPTCYP2C19
SCHEMBL1962958 0.82 ALDH1A1 (0.35) GCKALDH1A1LMNAMAPTCYP2C19
SCHEMBL1962618 0.81 L3MBTL1 (0.34) ALDH1A1LMNAMAPTMMP2POLB
SCHEMBL1962623 0.81 L3MBTL1 (0.34) ALDH1A1LMNAMAPTMMP2POLB
SCHEMBL1962620 0.81 L3MBTL1 (0.34) ALDH1A1LMNAMAPTMMP2POLB
SCHEMBL1958901 0.81 ALDH1A1 (0.35) GCKALDH1A1LMNAMAPTCYP2C19

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 769/4885LMNA 4695/4885

“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.