SCHEMBL2642128

SCHEMBL2642128

CSc1ccc([C@@H](CC2CCCC2=O)C(=O)N(C)[C@H](C)C(=O)c2ccccc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.36
▸ PTGS2 P35354 7/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TACR2 P21452 5/20 0.31
▸ PGR P06401 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TBXA2R P21731 1/20 0.30
▸ PTGDR Q13258 1/20 0.30

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
SCHEMBL2642123 1.00 PTGS1 (0.36) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2642125 1.00 PTGS1 (0.36) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2642132 0.86 PTGDR (0.39) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2642159 0.86 PTGDR (0.39) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2642162 0.86 PTGDR (0.39) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2642535 0.81 PTGS2 (0.45) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2642534 0.81 PTGS2 (0.45) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL1858506 0.73 GAA (0.39) KMT2AALDH1A1KDM4EKCNH2
SCHEMBL2644230 0.73 GAA (0.39) KMT2AKCNH2
SCHEMBL1858505 0.73 GAA (0.39) KMT2AALDH1A1KDM4EKCNH2

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 PTGS1 772/4885PTGS2 149/4885OPRK1 647/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK PTGS1 772/4885PTGS2 149/4885OPRK1 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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