SCHEMBL5158901

SCHEMBL5158901

OCC1=CC(NC2CC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AMY2A P04746 8/20 0.63
MGAM O43451 5/20 0.51
GAA P10253 4/20 0.51
SI P14410 4/20 0.51
AMY1A P0DUB6 3/20 0.51
CNR1 P21554 1/20 0.51
PTGS1 P23219 1/20 0.51
PDE4A P27815 1/20 0.51
PDE3A Q14432 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
TREH O43280 1/20 0.50
CD209 Q9NNX6 1/20 0.39

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 SCHEMBL8819801 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin SCHEMBL3121491 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL19231832 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL14408710 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL10033386 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL14409005 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL15906030 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL14408718 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL16028080 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A
Validamycin A SCHEMBL29451180 0.94 AMY2A (0.56) AMY2AMGAMGAASIAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995646-B Separation and purification method of validamycin 浙江工业大学 2022-03-18 CN claimed
CN-111995646-B Separation and purification method of validamycin 浙江工业大学 2022-03-18 CN disclosed
CN-111995646-B Separation and purification method of validamycin 浙江工业大学 2022-03-18 CN disclosed
US-7271158-B2 Treatment of rumen acidosis with α-amylase inhibitors PFIZER INC. (US) 2007-09-18 US disclosed
US-7271158-B2 Treatment of rumen acidosis with α-amylase inhibitors PFIZER INC. (US) 2007-09-18 US disclosed
EP-1745790-A2 Treatment of rumen acidosis with alpha-amylase inhibitors Pfizer Limited (GB) 2007-01-24 EP disclosed
US-20050233983-A1 Treatment of rumen acidosis with alpha-amylase inhibitors BANKS BERNARD J 2005-10-20 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-20050233983-A1 Treatment of rumen acidosis with alpha-amylase inhibitors SI, GANAB, AMY1A AMY2A 13/4885MGAM 7/4885GAA 5/4885

“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.