SCHEMBL20281034

SCHEMBL20281034

CC(=O)NC1C(OP(=O)(O)O[C@@H]2O[C@H](CO)C(O)C(O)C2NC(C)=O)OC(CO)C(O)C1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ MAPK1 P28482 2/20 0.58
▸ P2RY14 Q15391 1/20 0.53
▸ P2RY2 P41231 1/20 0.52
▸ P2RY4 P51582 1/20 0.52
▸ P2RY6 Q15077 1/20 0.52
▸ CD69 Q07108 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ POLB P06746 1/20 0.47
▸ 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
SCHEMBL433510 0.92 ALDH1A1 (0.56) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL30679825 0.92 ALDH1A1 (0.56) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL18710872 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL22410446 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL20552181 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL5679031 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL317138 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL7152633 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL15334201 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2
SCHEMBL29735890 0.92 ALDH1A1 (0.61) ALDH1A1THRBMAPK1P2RY14P2RY2

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-11708387-B2 Hexose derivatives, preparation and uses thereof FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA (PT) 2023-07-25 — — US disclosed
US-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF UNIVERSIDADE NOVA DE LISBOA (PT) 2018-06-21 — — 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-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 ALDH1A1 857/4885THRB 1747/4885MAPK1 352/4885
US-11708387-B2 Hexose derivatives, preparation and uses thereof HK1, SLC5A1, HK2 ALDH1A1 857/4885THRB 1747/4885MAPK1 352/4885

“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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