SCHEMBL22058769

SCHEMBL22058769

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

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.78
▸ THRB P10828 1/20 0.78
▸ MAPK1 P28482 2/20 0.60
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ CD69 Q07108 1/20 0.53
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL20017046 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL13096289 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL22059479 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL23323248 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL21029771 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL23332629 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL24936522 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL23719677 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL20990354 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL19767510 1.00 ALDH1A1 (0.78) ALDH1A1THRBMAPK1CA1CA2

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-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-05-06 — — US disclosed
US-10668092-B2 Compositions and methods for treatment of inflammatory disorders THE JOHN HOPKINS UNIVERSITY (US) 2020-06-02 — — 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-10668092-B2 Compositions and methods for treatment of inflammatory disorders TLR4, TLR3, TLR2 ALDH1A1 3398/4885THRB 1683/4885MAPK1 2051/4885
US-20210128594-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISORDERS TLR4, TLR3, TLR2 ALDH1A1 3398/4885THRB 1683/4885MAPK1 2051/4885

“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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