SCHEMBL1445407

SCHEMBL1445407

COCOC[C@@H](O)c1cnc(NC(=O)C(C)(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 2/20 0.35
CNR2 P34972 1/20 0.33
PYGL P06737 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDR P35968 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCAR3 P49019 1/20 0.31
PAX8 Q06710 1/20 0.31
KLF5 Q13887 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1445417 0.84 GRIN2B (0.36) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL1445415 0.84 GRIN2B (0.36) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL3294026 0.82 GRIN2B (0.36) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL2645077 0.80 PYGL (0.46) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL13294675 0.80 CNR2 (0.38) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL1445386 0.80 PYGL (0.46) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL13294650 0.80 CNR2 (0.38) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL3294235 0.79 CNR2 (0.39) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL3294231 0.79 CNR2 (0.39) RAB9ANPC1ALDH1A1CYP1A2GRIN2B
SCHEMBL3512294 0.76 L3MBTL1 (0.39) RAB9ANPC1ALDH1A1CYP1A2GRIN2B

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 3 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
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 RAB9A 3700/4885NPC1 4426/4885ALDH1A1 1061/4885

“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.