SCHEMBL935745

SCHEMBL935745

COC(=O)C(CC(C)C)n1ccc(Oc2cccc(F)c2F)c(I)c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.34
HIF1A Q16665 1/20 0.33
GNRHR P30968 6/20 0.33
GRM2 Q14416 2/20 0.32
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL935985 0.82 HIF1A (0.39) NR3C2HIF1A
SCHEMBL935524 0.72 HIF1A (0.40) HIF1A
SCHEMBL25656378 0.70 OPRK1 (0.43) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL25728204 0.70 OPRK1 (0.43) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL24929758 0.68 ELANE (0.38) ALDH1A1
SCHEMBL25728203 0.68 NPSR1 (0.37) ALDH1A1HPGD
SCHEMBL25656374 0.68 NPSR1 (0.37) ALDH1A1HPGD
SCHEMBL5340342 0.68 SLC6A3 (0.42) KDM4EALDH1A1HPGD
SCHEMBL2700348 0.65 GNRHR (0.35) GNRHRALDH1A1
SCHEMBL1066291 0.65 GNRHR (0.35) GNRHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
WO-2011009845-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 WO 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 (2 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD NR3C2 2919/4885HIF1A 3028/4885GNRHR 4689/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD NR3C2 2919/4885HIF1A 3028/4885GNRHR 4689/4885

“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.