SCHEMBL2642041

SCHEMBL2642041

CS(=O)(=O)c1ccc(C(CC2CCCCO2)C(=O)Nc2ccc(C(=O)O)cn2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
HCAR3 P49019 1/20 0.44
GCK P35557 13/20 0.43
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL14423119 1.00 KCNH2 (0.44) KCNH2HCAR3GCKTSHRHTT
SCHEMBL2642275 0.93 KCNH2 (0.43) KCNH2HCAR3GCKNPC1RAB9A
SCHEMBL14423118 0.93 KCNH2 (0.43) KCNH2HCAR3GCKNPC1RAB9A
SCHEMBL2642403 0.89 KCNH2 (0.45) KCNH2GCK
SCHEMBL14423120 0.89 KCNH2 (0.45) KCNH2GCK
SCHEMBL2659540 0.88 KCNH2 (0.48) KCNH2GCK
SCHEMBL2642103 0.86 KCNH2 (0.61) KCNH2GCK
SCHEMBL14423117 0.86 KCNH2 (0.61) KCNH2GCK
SCHEMBL14436824 0.84 KCNH2 (0.59) KCNH2GCK
SCHEMBL2642204 0.84 KCNH2 (0.59) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US claimed
CN-1329386-C Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE CO LTD (CH) 2007-08-01 CN claimed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP claimed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US claimed
CN-1649859-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2005-08-03 CN claimed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 US claimed
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7259166-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
CN-1329386-C Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE CO LTD (CH) 2007-08-01 CN disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
EP-1501815-B1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-11-22 EP disclosed
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY L 2006-08-10 US disclosed
CN-1649859-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2005-08-03 CN disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
WO-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO disclosed
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators CORBETT WENDY LEA (US) 2003-12-04 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 (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-20060178429-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK KCNH2 610/4885HCAR3 1220/4885GCK 2/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK KCNH2 610/4885HCAR3 1220/4885GCK 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.