SCHEMBL3356836

SCHEMBL3356836

Cc1cn(C(CC2CCCC2)C(=O)O)nc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.40
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CCR5 P51681 5/20 0.35
MC4R P32245 1/20 0.34
GAA P10253 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
SCHEMBL1711778 1.00 GCK (0.40) GCKHSD17B1HSD17B2CCR5MC4R
SCHEMBL2384771 0.87 GCK (0.41) GCKHSD17B1HSD17B2GAA
SCHEMBL2384776 0.87 GCK (0.41) GCKHSD17B1HSD17B2GAA
SCHEMBL3358060 0.83 GCK (0.40) GCKHSD17B1HSD17B2CCR5GAA
SCHEMBL2197106 0.79 GCK (0.67) GCK
SCHEMBL1711682 0.79 GCK (0.66) GCK
SCHEMBL1711758 0.79 GCK (0.66) GCK
SCHEMBL2224418 0.75 GCK (0.42) GCKCCR5
SCHEMBL3352943 0.75 GCK (0.42) GCKCCR5
SCHEMBL3350994 0.73 GCK (0.47) GCKGAA

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 7 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
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

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 2/4885HSD17B1 696/4885HSD17B2 839/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885HSD17B1 716/4885HSD17B2 864/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885HSD17B1 716/4885HSD17B2 864/4885

“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.