SCHEMBL2654751

SCHEMBL2654751

CS(=O)(=O)c1ccc(C2(CO)CC2C2CCCCC2)cc1OC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KCNH2 Q12809 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
KCNN4 O15554 2/20 0.32
GCK P35557 1/20 0.32
OPRM1 P35372 1/20 0.31
PAX8 Q06710 1/20 0.31
DDR1 Q08345 1/20 0.30
THRB P10828 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
SCHEMBL1582302 0.83 KCNH2 (0.36) SLC6A4SLC6A3KCNH2GCK
SCHEMBL2652896 0.82 GCK (0.39) CNR1CNR2KCNH2TMEM97SIGMAR1
SCHEMBL1581903 0.75 GCK (0.47) CNR2GCK
SCHEMBL1581715 0.74 GCK (0.45) CNR2GCK
SCHEMBL2654389 0.74 CNR2 (0.42) CNR2SIGMAR1GCK
SCHEMBL13757080 0.72 GCK (0.50) GCK
SCHEMBL13757063 0.72 GCK (0.68) KCNH2GCK
SCHEMBL2652793 0.72 GCK (0.68) KCNH2GCK
SCHEMBL1581451 0.72 CA1 (0.39) SLC6A4SLC6A3
SCHEMBL4484364 0.69 GCK (0.36) CNR1CNR2KCNH2TMEM97SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576108-B2 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY 2006-05-25 US disclosed
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators GCK, GCKR, GALK1 SLC6A4 1338/4885SLC6A3 1237/4885CNR1 2265/4885

“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.