Castanospermine

Castanospermine

SCHEMBL11921336

O[C@H]1[C@H](O)C2[C@@H](O)CCN2C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 1/20 1.00
NGLY1 Q96IV0 1/20 1.00
GBA2 Q9HCG7 1/20 1.00
GBA1 P04062 1/20 1.00
GANAB Q14697 1/20 1.00
MAN2B1 O00754 1/20 0.65
THRB P10828 1/20 0.41
SLC18A3 Q16572 1/20 0.31
MGAM O43451 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
Castanospermine SCHEMBL29356587 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL10471084 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL30094437 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL31666834 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL23845877 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL2434193 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL23689596 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL4645261 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL764545 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL13666292 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346760-A1 AGENTS TO PREVENT TISSUE DAMAGE FROM CLOSTRIDIUM DIFFICILE INFECTIONS BY INHIBITION OF THE GUT-DAMAGING BACTERIAL TOXINS TCDA AND TCDB NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-11-02 US disclosed
US-8242136-B2 Use of glucosidase inhibitors for therapy of mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-08-14 US disclosed
US-8242136-B2 Use of glucosidase inhibitors for therapy of mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-08-14 US disclosed
US-20110269795-A1 USE OF GLUCOSIDASE INHIBITORS FOR THERAPY OF MUCOVISIDOSIS UNIVERSITE DE POITIERS (FR) 2011-11-03 US disclosed
US-20110269795-A1 USE OF GLUCOSIDASE INHIBITORS FOR THERAPY OF MUCOVISIDOSIS UNIVERSITE DE POITIERS (FR) 2011-11-03 US disclosed
US-7973054-B2 Use of glucosidase inhibitors for therapy of mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-07-05 US disclosed
US-7973054-B2 Use of glucosidase inhibitors for therapy of mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-07-05 US disclosed
US-20070213357-A1 Use of Glucosidase Inhibitors for Therapy of Mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-09-13 US disclosed
US-20070213357-A1 Use of Glucosidase Inhibitors for Therapy of Mucovisidosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-09-13 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 (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-20230346760-A1 AGENTS TO PREVENT TISSUE DAMAGE FROM CLOSTRIDIUM DIFFICILE INFECTIONS BY INHIBITION OF THE GUT-DAMAGING BACTERIAL TOXINS TCDA AND TCDB SI, UGDH, UGGT1 GAA 101/4885MEN1 4780/4885CYP1A2 2201/4885
US-20110269795-A1 USE OF GLUCOSIDASE INHIBITORS FOR THERAPY OF MUCOVISIDOSIS MAN2B1, GAA, MAN2A1 GAA 2/4885MEN1 808/4885CYP1A2 281/4885
US-20070213357-A1 Use of Glucosidase Inhibitors for Therapy of Mucovisidosis MAN2B1, GAA, MAN2A1 GAA 2/4885MEN1 990/4885CYP1A2 351/4885

“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.