SCHEMBL2642321

SCHEMBL2642321

C[S+]([O-])c1ccc(C(CC2CCCC2=O)C(=O)O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.43
▸ PTGS1 P23219 11/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APP P05067 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2642323 1.00 PTGS2 (0.43) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2641961 0.82 KCNH2 (0.46) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2642548 0.82 KCNH2 (0.46) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2642534 0.81 PTGS2 (0.45) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2642535 0.81 PTGS2 (0.45) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL27558059 0.77 ALDH1A1 (0.42) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL2642042 0.73 SLC6A3 (0.53) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL9063540 0.73 PTGS1 (0.51) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL21820675 0.71 SLC6A3 (0.40) PTGS2PTGS1OPRK1HTTKMT2A
SCHEMBL14423126 0.70 SLC6A3 (0.39) PTGS2PTGS1OPRK1HTTKMT2A

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
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
US-7105671-B2 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-09-12 — — US disclosed
CN-1649859-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2005-08-03 — — CN 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 (1 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-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK PTGS2 149/4885PTGS1 772/4885OPRK1 647/4885

“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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