SCHEMBL19980825

SCHEMBL19980825

CC1OC(OC2C(OC3C(C)OC(C)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ STAT3 P40763 3/20 0.33
▸ XDH P47989 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ FASN P49327 1/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ UBE2N P61088 1/20 0.32
▸ AMY2A P04746 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL18323930 0.96 AMY1A (0.48) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL17773086 0.96 AMY1A (0.48) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL17773088 0.96 AMY1A (0.48) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL17773089 0.96 AMY1A (0.48) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL17773084 0.96 AMY1A (0.48) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL16904113 0.96 AMY1A (0.48) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL16904112 0.89 AMY1A (0.38) AMY1AALDH1A1MAPTALOX15
SCHEMBL19335015 0.88 AMY1A (0.50) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL19980843 0.87 AMY1A (0.36) AMY1AALDH1A1MAPTALOX15STAT3
SCHEMBL22130487 0.87 AMY1A (0.36) AMY1AALDH1A1MAPTALOX15STAT3

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-10688169-B2 Vaccines against carbapenem-resistant Klebsiella pneumoniae MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-06-23 — — US disclosed
US-20180078630-A1 VACCINES AGAINST CARBAPENEM-RESISTANT KLEBSIELLA PNEUMONIAE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-03-22 — — 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 (2 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-10688169-B2 Vaccines against carbapenem-resistant Klebsiella pneumoniae UBXN1, FUT5, SLC11A2 AMY1A 3497/4885ALDH1A1 2614/4885MAPT 2070/4885
US-20180078630-A1 VACCINES AGAINST CARBAPENEM-RESISTANT KLEBSIELLA PNEUMONIAE UBXN1, FUT5, SLC11A2 AMY1A 3497/4885ALDH1A1 2614/4885MAPT 2070/4885

“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.

Send feedback