SCHEMBL2642855

SCHEMBL2642855

O=C(O)C(CC1CCCCO1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.42
AKR1C2 P52895 8/20 0.42
AKR1B10 O60218 2/20 0.42
AKR1C4 P17516 2/20 0.42
AKR1C1 Q04828 2/20 0.42
EPHX1 P07099 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
IDH2 P48735 2/20 0.37
NOTUM Q6P988 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 1/20 0.35
KCNK3 O14649 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
SCHEMBL2642039 0.87 AKR1C3 (0.38) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2641951 0.84 CNR2 (0.41) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2642051 0.84 HPGD (0.40) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2642104 0.84 GAA (0.41) TAS1R3TAS1R1TAS1R2CNR2CYP1A2
SCHEMBL2646133 0.83 AKR1C3 (0.44) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2642544 0.78 SLC6A3 (0.50) HPGD
SCHEMBL1861372 0.78 SLC6A3 (0.50) HPGD
SCHEMBL2647603 0.74 APP (0.44) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2642356 0.74 SLC6A3 (0.46) CYP2C9HPGDCYP2C19
SCHEMBL2646312 0.73 EPHX1 (0.51) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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 AKR1C3 761/4885AKR1C2 545/4885AKR1B10 1227/4885
US-20030225283-A1 Substituted-cycloalkyl and oxygenated-cycloalkyl glucokinase activators GCKR, GCK, PDXK AKR1C3 761/4885AKR1C2 545/4885AKR1B10 1227/4885

“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.