SCHEMBL2651699

SCHEMBL2651699

O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.68
FFAR2 O15552 1/20 0.56
KCNH2 Q12809 1/20 0.55
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
STAT3 P40763 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47

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
SCHEMBL2645296 0.90 GCK (0.72) GCKFFAR2KCNH2HTTGAA
SCHEMBL2650556 0.86 GCK (0.62) GCKFFAR2KCNH2HTTGAA
SCHEMBL2650222 0.83 GCK (0.79) GCKFFAR2KCNH2
SCHEMBL2659396 0.82 GCK (0.73) GCKFFAR2KCNH2HTTGAA
Ro-281675 SCHEMBL2646000 0.81 GCK (1.00) GCKFFAR2KCNH2
Ro-281675 SCHEMBL7089685 0.81 GCK (1.00) GCKFFAR2KCNH2
SCHEMBL2645678 0.81 GCK (0.81) GCKFFAR2KCNH2HTTMEN1
Ro-281675 SCHEMBL2645615 0.81 GCK (1.00) GCKFFAR2KCNH2
SCHEMBL2649424 0.81 GCK (0.72) GCKFFAR2KCNH2MEN1KMT2A
SCHEMBL2650937 0.81 GCK (0.69) GCKFFAR2KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283830-B1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-06-18 EP claimed
CN-1185220-C Para-substituted phenylamide glucokinase activators HOFFMANN LA ROCHE (CH) 2005-01-19 CN claimed
CN-1427830-A Para-substituted phenylamide glucokinase activators HOFFMANN LA ROCHE (CH) 2003-07-02 CN claimed
US-20030060625-A1 Para-amine substituted phenylamide glucokinase activators BIZZARRO FRED THOMAS (US) 2003-03-27 US claimed
EP-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 EP claimed
US-20010051731-A1 Para-amine substituted phenylamide glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-13 US claimed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO claimed
EP-1283830-B1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-06-18 EP disclosed
EP-1283830-B1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-06-18 EP disclosed
CN-1185220-C Para-substituted phenylamide glucokinase activators HOFFMANN LA ROCHE (CH) 2005-01-19 CN disclosed
CN-1427830-A Para-substituted phenylamide glucokinase activators HOFFMANN LA ROCHE (CH) 2003-07-02 CN disclosed
US-20030060625-A1 Para-amine substituted phenylamide glucokinase activators BIZZARRO FRED THOMAS (US) 2003-03-27 US disclosed
EP-1283830-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-19 EP disclosed
US-6489485-B2 INCREASES INSULIN SECRETION; TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-12-03 US disclosed
US-20010051731-A1 Para-amine substituted phenylamide glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-13 US disclosed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO disclosed
WO-2001085707-A1 PARA-AMINE SUBSTITUTED PHENYLAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 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 (2 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-20010051731-A1 Para-amine substituted phenylamide glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1016/4885KCNH2 478/4885
US-20030060625-A1 Para-amine substituted phenylamide glucokinase activators GCKR, GCK, PDXK GCK 2/4885FFAR2 1016/4885KCNH2 478/4885

“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.