SCHEMBL2195109

SCHEMBL2195109

O=C(Cl)C(CC1CCCC1)n1cnc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.60
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
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
GCG P01275 1/20 0.33
P2RX7 Q99572 2/20 0.32

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
SCHEMBL1712291 1.00 GCK (0.60) GCKIDO1TDO2PSEN1PSEN2
SCHEMBL2224423 0.89 GCK (0.63) GCKIDO1TDO2GCG
SCHEMBL3355117 0.89 GCK (0.63) GCKIDO1TDO2GCG
SCHEMBL2199042 0.88 GCK (0.60) GCKIDO1TDO2
SCHEMBL27823008 0.88 GCK (0.60) GCKIDO1TDO2
SCHEMBL1711694 0.84 GCK (0.63) GCKGCGP2RX7
SCHEMBL1711692 0.84 GCK (0.63) GCKGCGP2RX7
SCHEMBL1711517 0.83 GCK (0.62) GCKIDO1TDO2GCGP2RX7
SCHEMBL1711521 0.83 GCK (0.62) GCKIDO1TDO2GCGP2RX7
SCHEMBL12091404 0.81 GCK (0.45) GCKIDO1TDO2

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 8 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
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 2/4885IDO1 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.