SCHEMBL2199042

SCHEMBL2199042

NC(=O)[C@H](CC1CCCC1)n1cnc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.60
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
GAA P10253 1/20 0.34
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 1/20 0.34
KHK P50053 2/20 0.33
CNR2 P34972 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
SCHEMBL27823008 1.00 GCK (0.60) GCKIDO1TDO2GAACPB1
SCHEMBL3355117 0.89 GCK (0.63) GCKIDO1TDO2CPB1CPB2
SCHEMBL2224423 0.89 GCK (0.63) GCKIDO1TDO2CPB1CPB2
SCHEMBL1712291 0.88 GCK (0.60) GCKIDO1TDO2
SCHEMBL2195109 0.88 GCK (0.60) GCKIDO1TDO2
SCHEMBL1711692 0.84 GCK (0.63) GCKKHK
SCHEMBL1711694 0.84 GCK (0.63) GCKKHK
SCHEMBL1711517 0.83 GCK (0.62) GCKIDO1TDO2CPB1CPB2
SCHEMBL1711521 0.83 GCK (0.62) GCKIDO1TDO2CPB1CPB2
SCHEMBL2201105 0.79 GCK (0.85) GCK

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 US disclosed
US-20130165452-A1 Substituted Heteroaryls PFIZER INC. (US) 2013-06-27 US disclosed
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-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-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-8329920-B2 Substituted imidazoles useful for treating type II diabetes PFIZER INC. (US) 2012-12-11 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
US-20110230445-A1 Substituted Heteroaryls PFIZER INC 2011-09-22 US disclosed
US-20110230445-A1 Substituted Heteroaryls PFIZER INC 2011-09-22 US disclosed
US-7977367-B2 Substituted imidazole propanamide glucokinase activators PFIZER INC (US) 2011-07-12 US disclosed
US-7977367-B2 Substituted imidazole propanamide glucokinase activators PFIZER INC (US) 2011-07-12 US disclosed
US-7977367-B2 Substituted imidazole propanamide glucokinase activators PFIZER INC (US) 2011-07-12 US disclosed
WO-2010029461-A1 HETEROARYLS AMIDE DERIVATIVES AND THEIR USE AS GLUCOKINASE ACTIVATORS PFIZER INC. (US) 2010-03-18 WO disclosed
US-20100063063-A1 Substituted Heteroaryls PFIZER INC 2010-03-11 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 2/4885IDO1 3933/4885TDO2 3311/4885
US-20110230445-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885IDO1 4059/4885TDO2 3349/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885IDO1 4059/4885TDO2 3349/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885IDO1 4059/4885TDO2 3349/4885

“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.