SCHEMBL1445808

SCHEMBL1445808

CC(C)(C)OCC(=O)c1cnc(NC(=O)C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDR P35968 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PAX8 Q06710 1/20 0.33
KLF5 Q13887 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPK1 P28482 1/20 0.33
ABL1 P00519 1/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 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
SCHEMBL3290355 0.85 NPC1 (0.36) CNR2NOTUMCYP1A2CYP3A4CYP2C9
SCHEMBL1445669 0.83 CNR2 (0.34) CNR2NOTUMCYP1A2CYP3A4CYP2C9
SCHEMBL1445413 0.82 CNR2 (0.39) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3291100 0.82 CCNB2 (0.36) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3290978 0.81 KDR (0.38) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3297481 0.81 CNR2 (0.38) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3293626 0.78 MAPK1 (0.44) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2644678 0.77 L3MBTL1 (0.41) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1445798 0.75 MEN1 (0.36) CNR2CYP1A2L3MBTL1NPC1RAB9A
SCHEMBL2644732 0.74 CYP1A2 (0.34) CNR2CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023706-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
WO-2011023706-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 US disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 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 (1 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-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND GCKR, GCK, HK1 CNR2 2771/4885NOTUM 2812/4885CYP1A2 250/4885

“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.