SCHEMBL3353852

SCHEMBL3353852

COC(=O)C(CC1CCOCC1)n1cnc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.52
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
P2RX7 Q99572 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL3353856 1.00 GCK (0.52) GCKCNR1CNR2IRAK4P2RX7
SCHEMBL1711692 0.90 GCK (0.63) GCKP2RX7
SCHEMBL1711694 0.90 GCK (0.63) GCKP2RX7
SCHEMBL1711517 0.89 GCK (0.62) GCKP2RX7
SCHEMBL1711521 0.89 GCK (0.62) GCKP2RX7
SCHEMBL12091409 0.84 GCK (0.43) GCK
SCHEMBL2199033 0.83 GCK (0.48) GCKCNR1CNR2
SCHEMBL2199035 0.83 GCK (0.48) GCKCNR1CNR2
SCHEMBL2199040 0.83 GCK (0.48) GCKCNR1CNR2
SCHEMBL3015006 0.82 GCK (0.40) GCKIRAK4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 US disclosed
US-8389552-B2 (S)-6-(2-(4-(cyclobutylsulfonyl)-1H-imidazol-1-yl)-3-cyclopentylpropanamido)nicotinic acid useful as a glucokinase activator PFIZER INC. (US) 2013-03-05 US disclosed
US-8329920-B2 Substituted imidazoles useful for treating type II diabetes PFIZER INC. (US) 2012-12-11 US disclosed
US-20120225910-A1 Substituted Heteroaryls PFIZER INC. (US) 2012-09-06 US disclosed
US-20100063063-A1 Substituted Heteroaryls PFIZER INC 2010-03-11 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 (3 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-20120225910-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CNR1 2553/4885CNR2 3349/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CNR1 2494/4885CNR2 3338/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CNR1 2494/4885CNR2 3338/4885

“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.