SCHEMBL17622803

SCHEMBL17622803

OC[C@H]1N[C@@H](c2ccccc2)[C@@H](O)C1O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 7/20 0.73
▸ GLA P06280 3/20 0.50
▸ AGL P35573 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ GBA1 P04062 2/20 0.50
▸ GBA2 Q9HCG7 1/20 0.50
▸ FUCA1 P04066 4/20 0.48
▸ GANC Q8TET4 2/20 0.48
▸ MAN2A1 Q16706 1/20 0.47
▸ MAN1B1 Q9UKM7 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
SCHEMBL13538449 1.00 MGAM (0.73) MGAMGLAAGLGAAGBA1
SCHEMBL19258270 1.00 MGAM (0.73) MGAMGLAAGLGAAGBA1
SCHEMBL9789772 0.98 MGAM (0.71) MGAMGLAAGLGAAGBA1
Radicamine B SCHEMBL8118948 0.85 MGAM (1.00) MGAMGLAAGLGAAGBA1
Radicamine B SCHEMBL2439078 0.85 MGAM (1.00) MGAMGLAAGLGAAGBA1
Radicamine B SCHEMBL13848027 0.85 MGAM (1.00) MGAMGLAAGLGAAGBA1
SCHEMBL8124155 0.83 MGAM (0.72) MGAMGLAAGLGAAGBA1
SCHEMBL8124475 0.83 MGAM (0.72) MGAMGLAAGLGAAGBA1
SCHEMBL830731 0.83 MGAM (0.50) MGAMGAAGBA1MAN2A1MAN1B1
SCHEMBL830730 0.83 MGAM (0.50) MGAMGAAGBA1MAN2A1MAN1B1

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-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — 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 (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-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 MGAM 1878/4885GLA 3219/4885AGL 3343/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 MGAM 1878/4885GLA 3219/4885AGL 3343/4885

“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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