SCHEMBL2646784

SCHEMBL2646784

O=C(O)C(CC1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.40
▸ APP P05067 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ CASR P41180 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL2646236 0.86 RXFP1 (0.40) RXFP1CASRMEN1KMT2ASMN1; SMN2
SCHEMBL2645119 0.85 GCK (0.43) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1862330 0.84 GCK (0.44) MEN1KMT2ASMN1; SMN2GAAHSD11B1
SCHEMBL1862334 0.84 GCK (0.44) MEN1KMT2ASMN1; SMN2GAAHSD11B1
SCHEMBL2662810 0.83 KCNH2 (0.38) RXFP1CASRMEN1KMT2ASMN1; SMN2
SCHEMBL2646506 0.83 KCNH2 (0.38) RXFP1CASRMEN1KMT2ASMN1; SMN2
SCHEMBL2648777 0.83 RXFP1 (0.38) RXFP1CASRMEN1KMT2ASMN1; SMN2
SCHEMBL1861636 0.80 EPHX1 (0.50) RXFP1APPPSEN1PSEN2APH1B
SCHEMBL1861639 0.80 EPHX1 (0.50) RXFP1APPPSEN1PSEN2APH1B
SCHEMBL2646719 0.78 GCK (0.64) 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 13 patents. 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
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
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
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 (4 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 RXFP1 4564/4885APP 2579/4885PSEN1 2982/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK RXFP1 4494/4885APP 2423/4885PSEN1 2915/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK RXFP1 4564/4885APP 2579/4885PSEN1 2982/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK RXFP1 4564/4885APP 2579/4885PSEN1 2982/4885

“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.

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