SCHEMBL2642132

SCHEMBL2642132

C[C@H](C(=O)c1ccccc1)N(C)C(=O)[C@H](CC1CCCC1=O)c1ccc(S(C)(=O)=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 10/20 0.39
▸ TBXA2R P21731 7/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ GCK P35557 3/20 0.38
▸ PDE2A O00408 3/20 0.36
▸ PTGS1 P23219 3/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL2642159 1.00 PTGDR (0.39) PTGDRTBXA2RKCNH2GCKPDE2A
SCHEMBL2642162 1.00 PTGDR (0.39) PTGDRTBXA2RKCNH2GCKPDE2A
SCHEMBL2642125 0.86 PTGS1 (0.36) PTGDRTBXA2RKCNH2PTGS1PTGS2
SCHEMBL2642128 0.86 PTGS1 (0.36) PTGDRTBXA2RKCNH2PTGS1PTGS2
SCHEMBL2642123 0.86 PTGS1 (0.36) PTGDRTBXA2RKCNH2PTGS1PTGS2
SCHEMBL2642548 0.82 KCNH2 (0.46) PTGDRTBXA2RKCNH2GCKPDE2A
SCHEMBL2641961 0.82 KCNH2 (0.46) PTGDRTBXA2RKCNH2GCKPDE2A
SCHEMBL27558004 0.80 ALDH1A1 (0.46) PTGDRTBXA2RKCNH2GCKPDE2A
SCHEMBL2642351 0.70 KCNH2 (0.77) KCNH2GCK
SCHEMBL2642349 0.70 KCNH2 (0.77) 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 8 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 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
EP-1501815-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 — — EP 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
WO-2003095438-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 — — 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 (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 PTGDR 587/4885TBXA2R 793/4885KCNH2 610/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK PTGDR 587/4885TBXA2R 793/4885KCNH2 610/4885

“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.

Send feedback