SCHEMBL4419614

SCHEMBL4419614

O=CCCCCOCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 18/20 0.48
GBA1 P04062 6/20 0.45
UGCG Q16739 5/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
AGL P35573 2/20 0.43
LCT P09848 1/20 0.43

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
SCHEMBL14601217 0.83 GBA2 (0.51) GBA2GBA1UGCGMGAMGAA
SCHEMBL14596394 0.77 GBA2 (0.49) GBA2GBA1UGCGMGAMGAA
SCHEMBL13668744 0.77 GBA2 (0.51) GBA2GBA1UGCGMGAMGAA
SCHEMBL4422178 0.75 GBA2 (0.54) GBA2GBA1UGCGMGAMGAA
SCHEMBL13668757 0.75 GBA2 (0.57) GBA2GBA1UGCGMGAMGAA
SCHEMBL13672852 0.74 GBA2 (0.52) GBA2GBA1UGCGMGAMGAA
SCHEMBL5969341 0.74 GRIN2D (0.54)
SCHEMBL29226115 0.74 GBA2 (0.44) GBA2GBA1UGCGMGAMGAA
SCHEMBL13668762 0.73 GBA2 (0.52) GBA2GBA1UGCGMGAMGAA
SCHEMBL16451614 0.73 GBA2 (0.48) GBA2GBA1UGCGMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680403-B1 DEOXYNOJIRIMYCIN ANALOGUES AND THEIR USES AS GLUCOSYLCERAMIDASE INHIBITORS GENZYME CORP (US) 2016-06-29 EP disclosed
US-7476753-B2 3-aryl-2-cyano-3-hydroxy-acrylic acid derivatives CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-01-13 US disclosed
US-20070066581-A1 Deoxynojirimycin analogues and their uses as glucosylceramidase inhibitors GENZYME CORPORATION 2007-03-22 US disclosed
US-20070015793-A1 Synthesis of nojirimycins MACROZYME DNM B.V. (NL) 2007-01-18 US disclosed
US-20070015793-A1 Synthesis of nojirimycins MACROZYME DNM B.V. (NL) 2007-01-18 US disclosed
US-20060228965-A1 3-Aryl-2-cyano-3-hydroxy-acrylic acid derivatives CIBA SPECIALTY CHEMICALS CORP. 2006-10-12 US disclosed
EP-0912179-B1 DEOXYNOJIRIMYCIN DERIVATIVES AND THEIR USES AS GLUCOSYLCERAMIDASE INHIBITORS MACROZYME DNM B V (NL) 2006-04-12 EP disclosed
US-6177447-B1 THERAPY FOR GAUCHER'S DISEASE UNIVERSITEIT VAN AMSTERDAM (NL) 2001-01-23 US disclosed
EP-0912179-A1 DEOXYNOJIRIMYCIN DERIVATIVES AND THEIR USES AS GLUCOSYLCERAMIDASE INHIBITORS Universiteit van Amsterdam (NL) 1999-05-06 EP disclosed
WO-1998002161-A1 DEOXYNOJIRIMYCIN DERIVATIVES AND THEIR USES AS GLUCOSYLCERAMIDASE INHIBITORS UNIVERSITEIT VAN AMSTERDAM (NL) 1998-01-22 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 (3 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-20060228965-A1 3-Aryl-2-cyano-3-hydroxy-acrylic acid derivatives HCAR3, C3AR1, HCAR1 GBA2 1826/4885GBA1 782/4885UGCG 1225/4885
US-20070066581-A1 Deoxynojirimycin analogues and their uses as glucosylceramidase inhibitors GAA, GBA1, GBA3 GBA2 9/4885GBA1 2/4885UGCG 6/4885
US-20070015793-A1 Synthesis of nojirimycins DHPS, NOS1, MRM1 GBA2 917/4885GBA1 1280/4885UGCG 466/4885

“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.