SCHEMBL1711517

SCHEMBL1711517

COC(=O)C(CC1CCCCC1)n1cnc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.62
CTSK P43235 1/20 0.37
GCG P01275 1/20 0.35
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 1/20 0.34
TBXA2R P21731 1/20 0.34

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
SCHEMBL1711521 1.00 GCK (0.62) GCKCTSKGCGP2RX7ALDH1A1
SCHEMBL1711692 0.99 GCK (0.63) GCKCTSKGCGP2RX7
SCHEMBL1711694 0.99 GCK (0.63) GCKCTSKGCGP2RX7
SCHEMBL3353856 0.89 GCK (0.52) GCKP2RX7
SCHEMBL3353852 0.89 GCK (0.52) GCKP2RX7
SCHEMBL2224423 0.84 GCK (0.63) GCKGCGIDO1TDO2CPB1
SCHEMBL3355117 0.84 GCK (0.63) GCKGCGIDO1TDO2CPB1
SCHEMBL2195109 0.83 GCK (0.60) GCKGCGP2RX7IDO1TDO2
SCHEMBL1712291 0.83 GCK (0.60) GCKGCGP2RX7IDO1TDO2
SCHEMBL2199042 0.83 GCK (0.60) GCKIDO1TDO2CPB1CPB2

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 9 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
CN-102216276-A substituted heteroaryl PFIZER 2011-10-12 CN disclosed
US-20110230445-A1 Substituted Heteroaryls PFIZER INC 2011-09-22 US disclosed
EP-2344458-A1 HETEROARYLS AMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATORS Pfizer Inc. (US) 2011-07-20 EP disclosed
US-7977367-B2 Substituted imidazole propanamide glucokinase activators PFIZER INC (US) 2011-07-12 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 (4 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 2/4885CTSK 296/4885GCG 235/4885
US-20110230445-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CTSK 295/4885GCG 263/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CTSK 295/4885GCG 263/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CTSK 295/4885GCG 263/4885

“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.