Validamycin A

Validamycin A

SCHEMBL10033386

OCC1=C[C@H](N[C@H]2C[C@H](CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O)C(O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AMY2A P04746 8/20 0.56
MGAM O43451 6/20 0.56
SI P14410 5/20 0.56
GAA P10253 4/20 0.56
AMY1A P0DUB6 3/20 0.56
CNR1 P21554 1/20 0.56
PTGS1 P23219 1/20 0.56
PDE4A P27815 1/20 0.56
PDE3A Q14432 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
TREH O43280 1/20 0.55

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
Validamycin A SCHEMBL29451180 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL14409005 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL8819801 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL19231832 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL14408710 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL15906030 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin SCHEMBL3121491 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL16028080 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL14408718 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL12347612 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101732-B2 Methods of producing validamycin A analogs and uses thereof STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2012-01-24 US disclosed
US-20100151528-A1 METHODS OF PRODUCING VALIDAMYCIN A ANALOGS AND USES THEREOF THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF 2010-06-17 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-20100151528-A1 METHODS OF PRODUCING VALIDAMYCIN A ANALOGS AND USES THEREOF VNN1, COASY, ERG28 AMY2A 1533/4885MGAM 912/4885SI 1843/4885

“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.