SCHEMBL2647007

SCHEMBL2647007

CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.63
GCK P35557 7/20 0.41
GPR119 Q8TDV5 2/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
APP P05067 2/20 0.37
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
FAAH O00519 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35

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
SCHEMBL2650602 0.90 KCNH2 (0.52) KCNH2GCK
SCHEMBL2647441 0.89 KCNH2 (0.50) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL2646723 0.87 KCNH2 (0.62) KCNH2GCKGPR119
SCHEMBL1861377 0.86 KCNH2 (0.48) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1861379 0.86 KCNH2 (0.48) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1171465 0.85 KCNH2 (0.63) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL1171463 0.85 KCNH2 (0.63) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL2647331 0.85 KCNH2 (0.48) KCNH2GCKAPPPSEN1PSEN2
SCHEMBL2645963 0.85 KCNH2 (0.48) KCNH2GCKAKR1C3AKR1C2APP
SCHEMBL2645781 0.85 KCNH2 (0.48) KCNH2GCKAKR1C3AKR1C2APP

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 6 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
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

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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885GPR119 7/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885GPR119 7/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK KCNH2 1022/4885GCK 2/4885GPR119 7/4885

“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.