SCHEMBL2196381

SCHEMBL2196381

COC(=O)[C@H](CC1CCCC1)n1cc(C(F)(F)F)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 10/20 0.41
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.32
PTGES O14684 2/20 0.32
CTSK P43235 1/20 0.32
LRRK2 Q5S007 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL2196377 1.00 GCK (0.41) GCKHSD17B1HSD17B2KDM4EKMT2A
SCHEMBL3358060 0.87 GCK (0.40) GCKHSD17B1HSD17B2KMT2AMAPT
SCHEMBL2384771 0.84 GCK (0.41) GCKHSD17B1HSD17B2KMT2A
SCHEMBL2384776 0.84 GCK (0.41) GCKHSD17B1HSD17B2KMT2A
SCHEMBL12252617 0.79 GCK (0.42) GCKHSD17B1HSD17B2KDM4E
SCHEMBL2196324 0.78 GCK (0.41) GCKHSD17B1HSD17B2KDM4EKMT2A
SCHEMBL2196327 0.78 GCK (0.41) GCKHSD17B1HSD17B2KDM4EKMT2A
SCHEMBL1711660 0.78 GCK (0.41) GCKHSD17B1HSD17B2
SCHEMBL1711662 0.78 GCK (0.41) GCKHSD17B1HSD17B2
SCHEMBL1711634 0.78 GCK (0.46) GCKKDM4ECTSK

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 15 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-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-20120225910-A1 Substituted Heteroaryls PFIZER INC. (US) 2012-09-06 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 2/4885HSD17B1 696/4885HSD17B2 839/4885
US-20110230445-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885HSD17B1 716/4885HSD17B2 864/4885
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.