SCHEMBL3352943

SCHEMBL3352943

O=C(O)C(CC1CCCC1)n1cnc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.42
CCR5 P51681 4/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
P2RX7 Q99572 2/20 0.34
KHK P50053 1/20 0.33
APP P05067 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL2224418 1.00 GCK (0.42) GCKCCR5IDO1TDO2P2RX7
SCHEMBL1711662 0.85 GCK (0.41) GCKIDO1TDO2P2RX7
SCHEMBL1711660 0.85 GCK (0.41) GCKIDO1TDO2P2RX7
SCHEMBL2198626 0.79 GCK (0.50) GCK
SCHEMBL2198625 0.79 GCK (0.50) GCK
SCHEMBL1711550 0.78 GCK (0.69) GCK
SCHEMBL1711549 0.78 GCK (0.69) GCK
SCHEMBL2197928 0.78 GCK (0.71) GCK
SCHEMBL2197924 0.78 GCK (0.71) GCK
SCHEMBL2198670 0.77 GCK (0.68) 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 6 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-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 2/4885CCR5 3128/4885IDO1 3933/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CCR5 3319/4885IDO1 4059/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885CCR5 3319/4885IDO1 4059/4885

“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.