SCHEMBL21843050

SCHEMBL21843050

CO[C@@H]1O[C@@H](C)C(O)C(O)C1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ FUCA1 P04066 1/20 0.37
▸ LGALS3 P17931 3/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CD69 Q07108 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL26901169 1.00 ALDH1A1 (0.43) ALDH1A1THRBMAPK1MMP9MMP12
SCHEMBL7148361 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL7153802 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL7154174 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL7152884 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL7153804 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL7152882 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL7156217 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL7154173 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3
SCHEMBL11774138 0.86 LGALS3 (0.39) ALDH1A1THRBMAPK1FUCA1LGALS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596272-B2 Vaccines against Streptococcus pneumoniae serotype 5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-03-24 — — 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-10596272-B2 Vaccines against Streptococcus pneumoniae serotype 5 FUT5, SPAG5, IL5 ALDH1A1 3515/4885THRB 4049/4885MAPK1 3437/4885

“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.

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