SCHEMBL1445554

SCHEMBL1445554

CC1(C)OC[C@H](c2cnc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(C)(=O)=O)c(Cl)c3)cn2)O1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.66
GCK P35557 17/20 0.54

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
SCHEMBL2646066 1.00 KCNH2 (0.66) KCNH2GCK
SCHEMBL1445555 1.00 KCNH2 (0.66) KCNH2GCK
SCHEMBL2644165 0.85 KCNH2 (0.71) KCNH2GCK
SCHEMBL2644162 0.85 KCNH2 (0.71) KCNH2GCK
SCHEMBL2645648 0.85 KCNH2 (0.75) KCNH2GCK
SCHEMBL2644341 0.85 KCNH2 (0.75) KCNH2GCK
SCHEMBL2664479 0.85 KCNH2 (0.75) KCNH2GCK
SCHEMBL2644475 0.83 KCNH2 (0.75) KCNH2GCK
SCHEMBL2645248 0.83 KCNH2 (0.77) KCNH2GCK
SCHEMBL2644472 0.83 KCNH2 (0.75) KCNH2GCK

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023706-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
US-7727750-B2 Biocatalytic asymmetric reduction in preparation of (S)-N-[5-(1,2-dihydroxy-ethyl)-pyrazinyl]-2,2-dimethyl-propionamide HOFFMAN-LA ROCHE INC. (US) 2010-06-01 US disclosed
US-7727750-B2 Biocatalytic asymmetric reduction in preparation of (S)-N-[5-(1,2-dihydroxy-ethyl)-pyrazinyl]-2,2-dimethyl-propionamide HOFFMAN-LA ROCHE INC. (US) 2010-06-01 US disclosed
EP-2145012-A2 MICROBIAL REDUCTION OF AN ACETOXYKETONE F. Hoffmann-Roche AG (CH) 2010-01-20 EP disclosed
WO-2008122511-A2 PROCESS FOR PREPARING 2-AMINO- [5-(1(S), 2-DIHYDROXYETHYL) OR - (KS) -HYDROXY-2-HALOETHYL) ] -PYRAZINE DERIVATIVES BY ENZYMATIC REDUCTION OF THE CORRESPONDING KETONES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
WO-2008122511-A2 PROCESS FOR PREPARING 2-AMINO- [5-(1(S), 2-DIHYDROXYETHYL) OR - (KS) -HYDROXY-2-HALOETHYL) ] -PYRAZINE DERIVATIVES BY ENZYMATIC REDUCTION OF THE CORRESPONDING KETONES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
US-20080248537-A1 BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 US disclosed
US-20080248537-A1 BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 US disclosed
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO 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 (3 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-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND GCKR, GCK, HK1 KCNH2 310/4885GCK 2/4885
US-20080248537-A1 BIOCATALYTIC ASYMMETRIC REDUCTION IN PREPARATION OF (S)-N-[5-(1,2-DIHYDROXY-ETHYL)-PYRAZINYL]-2,2-DIMETHYL-PROPIONAMIDE GCK, HK2, GCKR KCNH2 512/4885GCK 1/4885
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 KCNH2 1458/4885GCK 1/4885

“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.