SCHEMBL4365913

SCHEMBL4365913

CC(C)(C)OC(=O)NNc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.53
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RAB9A P51151 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GFER P55789 1/20 0.46
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ P2RX7 Q99572 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL22989464 0.86 LMNA (0.46) GAAPOLBLMNARAB9ANPC1
SCHEMBL661640 0.83 RAB9A (0.56) GAAPOLBLMNARAB9ANPC1
SCHEMBL2235560 0.83 GAA (0.59) GAAPOLBLMNARAB9ANPC1
SCHEMBL6852142 0.82 GAA (0.61) GAAPOLBLMNARAB9ANPC1
SCHEMBL16774987 0.82 GAA (0.52) GAAPOLBLMNARAB9ANPC1
SCHEMBL4363339 0.81 GAA (0.58) GAAPOLBLMNARAB9ANPC1
SCHEMBL4371784 0.81 POLB (0.72) GAAPOLBLMNARAB9ANPC1
SCHEMBL31738259 0.81 GAA (0.51) GAAPOLBLMNARAB9ANPC1
SCHEMBL1586390 0.81 GAA (0.51) GAAPOLBLMNARAB9ANPC1
SCHEMBL4371076 0.81 NPC1 (0.51) GAAPOLBLMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 — — EP disclosed
EP-1924563-B1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 HOFFMANN LA ROCHE (CH) 2013-07-31 — — EP disclosed
CN-101253155-B 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 HOFFMANN LA ROCHE 2011-11-09 — — CN disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 — — US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 — — US disclosed
US-7622492-B2 Pyrazolones as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2009-11-24 — — US disclosed
CN-101253155-A 11-beta-hydroxysteroid dehydrogenase-1-inhibitor-diabetes-type 2-1 HOFFMANN LA ROCHE (CH) 2008-08-27 — — CN disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 — — EP disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 — — WO disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 — — WO disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 — — US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 — — US disclosed
US-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase BANNER BRUCE L 2007-03-01 — — 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-20070049632-A1 Pyrazolones as inhibitors of 11B-hydroxysteroid dehydrogenase HSD17B1, HSD17B2, HSD3B2 GAA 423/4885POLB 1084/4885LMNA 3237/4885

“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.

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