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SCHEMBL2196324

SCHEMBL2196324

COC(=O)C(CC1CCCC1)n1ncc(C(F)(F)F)c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 10/20 0.41
▸ LMNA P02545 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ TDO2 P48775 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ PTGES O14684 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
SCHEMBL2196327 1.00 GCK (0.41) GCKLMNACTSLCTSSCTSK
SCHEMBL12252618 0.79 GCK (0.39) GCKKDM4EHSD17B1HSD17B2
SCHEMBL2197168 0.78 GCK (0.67) GCK
SCHEMBL2197163 0.78 GCK (0.67) GCK
SCHEMBL2196377 0.78 GCK (0.41) GCKCTSKKDM4EKMT2AHSD17B1
SCHEMBL2196381 0.78 GCK (0.41) GCKCTSKKDM4EKMT2AHSD17B1
SCHEMBL12252617 0.78 GCK (0.42) GCKKDM4EHSD17B1HSD17B2
SCHEMBL1009298 0.77 KDM4E (0.38) GCKKDM4EP2RX7MEN1KMT2A
SCHEMBL1010562 0.77 ALDH1A1 (0.47) GCKLMNAMEN1KMT2A
SCHEMBL1009410 0.75 GCK (0.37) 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 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 2/4885LMNA 3175/4885CTSL 2839/4885
US-20110230445-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885LMNA 3253/4885CTSL 2855/4885
US-20100063063-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885LMNA 3253/4885CTSL 2855/4885
US-20130165452-A1 Substituted Heteroaryls GCKR, GCK, GALK1 GCK 2/4885LMNA 3253/4885CTSL 2855/4885

“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.