Castanospermine

Castanospermine

SCHEMBL4645261

OC1CN2CC[C@H](O)C2C(O)C1O

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 SCHEMBL764545 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL13666292 1.00 GAA (1.00) GAAMEN1CYP1A2CYP2C9CYP2C19
Castanospermine SCHEMBL2267745 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387681-B1 USE OF CASTANOSPERMINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C VIROGEN LTD (GB) 2008-08-20 EP claimed
EP-0297534-B1 Castanospermine esters and glycosides MERRELL DOW PHARMA (US) 1994-12-28 EP claimed
EP-0412487-B1 Process for the preparation of castanospermine esters MERRELL DOW PHARMA (US) 1994-12-28 EP claimed
EP-0309952-B1 Anti-retroviral castanospermine esters MERRELL DOW PHARMA (US) 1994-06-22 EP claimed
US-20210228560-A1 Combination of a Compound Having the Ability to Rearrange a Lysosomal Enzyme and Ambroxol and/or a Derivative of Ambroxol CENTOGENE IP GMBH (DE) 2021-07-29 US disclosed
US-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 US disclosed
US-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 US disclosed
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 US disclosed
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 US disclosed
WO-2016110702-A1 TREATMENT OF MYCOBACTERIAL INFECTION ISIS INNOVATION LIMITED (GB) 2016-07-14 WO disclosed
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-03-20 US disclosed
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-03-20 US disclosed
EP-0297534-B1 Castanospermine esters and glycosides MERRELL DOW PHARMA (US) 1994-12-28 EP disclosed
EP-0309952-B1 Anti-retroviral castanospermine esters MERRELL DOW PHARMA (US) 1994-06-22 EP disclosed
EP-0492841-A1 Anti-herpes castanospermine esters MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-01 EP disclosed
US-5079254-A DERIVATIVES OF 6-AMINOOCTAHYDROINDOLIZINETRIOL MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-07 US disclosed
EP-0449294-A1 Hydroxymethyl-indolizidines and quinolizidines MERRELL PHARMACEUTICALS INC. (US) 1991-10-02 EP disclosed
US-5004746-A Anti-retroviral castanospermine esters MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-02 US disclosed
US-4970317-A Process for the preparation of castanospermine esters MERRELL DOW PHARMACEUTICALS INC. (US) 1990-11-13 US disclosed
US-4952585-A Castanospermine esters in the inhibition of tumor metastasis MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-28 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-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION UGCG, SMPD1, SMPD4 GAA 52/4885MEN1 3887/4885CYP1A2 1038/4885
US-20210228560-A1 Combination of a Compound Having the Ability to Rearrange a Lysosomal Enzyme and Ambroxol and/or a Derivative of Ambroxol CMA1, MAN2B1, GBA3 GAA 13/4885MEN1 1633/4885CYP1A2 986/4885
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 GAA 11/4885MEN1 2550/4885CYP1A2 1358/4885

“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.