Sugi Predict

Sugi Predict / Compounds / SCHEMBL2646161

SCHEMBL2646161

SCHEMBL2646161

CSc1ccc(C(CC2CCCC2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.40
▸ AKR1C2 P52895 3/20 0.40
▸ GCK P35557 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ APP P05067 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL1107404 1.00 AKR1C3 (0.40) AKR1C3AKR1C2GCKMEN1KMT2A
SCHEMBL28819817 0.90 SLC6A4 (0.40) AKR1C3AKR1C2GCKMEN1KMT2A
SCHEMBL12742235 0.88 GCK (0.38) AKR1C3AKR1C2GCKMEN1KMT2A
SCHEMBL1867701 0.86 GCK (0.37) GCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1867699 0.86 GCK (0.37) GCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2645258 0.85 ESR1 (0.40) GCKALDH1A1HPGD
SCHEMBL1858753 0.84 MAOA (0.36) GCKGRNSORT1APPPSEN1
SCHEMBL1858751 0.84 MAOA (0.36) GCKGRNSORT1APPPSEN1
SCHEMBL1858400 0.83 SLC6A9 (0.42) AKR1C3AKR1C2MEN1KMT2ASMN1; SMN2
SCHEMBL1858397 0.83 SLC6A9 (0.42) AKR1C3AKR1C2MEN1KMT2ASMN1; SMN2

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 30 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
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 — — EP 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
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 — — 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-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 — — EP disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 — — EP disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 — — US disclosed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 — — US disclosed
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY LEA (US) 2002-08-08 — — 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
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 — — 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 (7 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-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 AKR1C3 2473/4885AKR1C2 1205/4885GCK 2/4885
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 AKR1C3 691/4885AKR1C2 336/4885GCK 1/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 AKR1C3 2473/4885AKR1C2 1205/4885GCK 2/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK AKR1C3 1475/4885AKR1C2 940/4885GCK 2/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 AKR1C3 2473/4885AKR1C2 1205/4885GCK 2/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK AKR1C3 1529/4885AKR1C2 992/4885GCK 2/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK AKR1C3 1529/4885AKR1C2 992/4885GCK 2/4885

“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.