SCHEMBL20045985

SCHEMBL20045985

CC(=O)N[C@@H]1[C@H](O)[C@H](C)[C@@H](CO)O[C@H]1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ PYGB P11216 3/20 0.41
▸ OGA O60502 1/20 0.40
▸ CD69 Q07108 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ LGALS8 O00214 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS4 P56470 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 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
SCHEMBL20045987 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL17117588 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL15853521 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL18333522 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL20045968 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL24454399 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL15142882 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL15905650 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL16359157 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA
SCHEMBL15142802 1.00 ALDH1A1 (0.45) ALDH1A1THRBMAPK1PYGBOGA

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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 — — 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 ALDH1A1 2009/4885THRB 282/4885MAPK1 2119/4885

“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