SCHEMBL2642050

SCHEMBL2642050

CSc1ccc(C(CC2CCCC2O)C(=O)N(C)C(C)C(O)c2ccccc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
PTGS1 P23219 7/20 0.36
PTGS2 P35354 6/20 0.36
MT-CO1 P00395 1/20 0.36
MT-CO2 P00403 1/20 0.36
NPY5R Q15761 6/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2642054 1.00 GAA (0.38) GAAPTGS1PTGS2MT-CO1MT-CO2
SCHEMBL1858509 0.90 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL1858505 0.90 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL1858506 0.90 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2644230 0.88 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2644229 0.88 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2662060 0.84 GAA (0.31) GAANPY5RSLC6A3
SCHEMBL2642126 0.84 GAA (0.31) GAANPY5RSLC6A3
SCHEMBL1864681 0.82 GAA (0.37) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL1864679 0.82 GAA (0.37) GAANPY5RCYP3A4CYP2D6SLC6A2

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-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
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 GAA 585/4885PTGS1 772/4885PTGS2 149/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK GAA 585/4885PTGS1 772/4885PTGS2 149/4885

“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.