Sugi Predict

Sugi Predict / Compounds / SCHEMBL2646705

SCHEMBL2646705

SCHEMBL2646705

COC(=O)C(CC1CCCC1)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 14/20 0.49
▸ MAPT P10636 3/20 0.49
▸ PPARG P37231 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ VCAM1 P19320 1/20 0.49
▸ VDR P11473 2/20 0.48
▸ KCNH2 Q12809 3/20 0.45
▸ PAX8 Q06710 1/20 0.43
▸ THRA P10827 1/20 0.42

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
SCHEMBL2646205 0.88 KCNH2 (0.45) THRBMAPTPPARGLMNAMEN1
SCHEMBL2646911 0.87 KCNH2 (0.44) THRBMAPTPPARGLMNAMEN1
SCHEMBL2648390 0.86 KCNH2 (0.50) L3MBTL1KCNH2
SCHEMBL2646367 0.84 KCNH2 (0.47) THRBMAPTPPARGLMNAMEN1
SCHEMBL2662374 0.84 KCNH2 (0.47) THRBMAPTPPARGLMNAMEN1
SCHEMBL2646355 0.84 KMT2A (0.47) MAPTLMNAMEN1HTTKMT2A
SCHEMBL2647285 0.83 KCNH2 (0.48) POLBKCNH2
SCHEMBL21882880 0.83 KCNH2 (0.62) KCNH2
SCHEMBL2646278 0.83 KCNH2 (0.62) KCNH2
SCHEMBL2646723 0.83 KCNH2 (0.62) KCNH2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 — — US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 — — US disclosed
EP-1341774-B1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-02-01 — — EP disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 — — US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 — — US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 — — EP disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 — — US disclosed
EP-1341774-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 — — EP disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 — — US disclosed
US-20020103199-A1 Fused heteroaromatic glucokinase activators CORBETT WENDY LEA (US) 2002-08-01 — — US disclosed
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-01 — — US disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 — — WO disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 — — EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 — — US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 — — US disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 — — EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 — — WO disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 — — 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 (6 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK THRB 1552/4885MAPT 4407/4885PPARG 269/4885
US-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 THRB 1138/4885MAPT 4353/4885PPARG 473/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK THRB 1353/4885MAPT 4402/4885PPARG 251/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 THRB 1138/4885MAPT 4353/4885PPARG 473/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK THRB 1552/4885MAPT 4407/4885PPARG 269/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK THRB 1552/4885MAPT 4407/4885PPARG 269/4885

“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.