SCHEMBL20412283

SCHEMBL20412283

CC(C)C/C=C/C(=O)N[C@@H]1C(O)C(O)[C@@H](C[C@@H](O)C2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H]1O[C@H]1O[C@@H](CO)[C@@H](O)C(O)C1C

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ P2RY14 Q15391 5/20 0.45
▸ P2RY2 P41231 2/20 0.45
▸ P2RY6 Q15077 2/20 0.45
▸ P2RY4 P51582 1/20 0.45
▸ SLC28A1 O00337 1/20 0.44
▸ SLC28A2 O43868 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44
▸ SLC28A3 Q9HAS3 1/20 0.44
▸ OGT O15294 1/20 0.40

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
SCHEMBL3738697 0.94 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL30438116 0.94 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL25269457 0.94 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL25251763 0.94 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL13210232 0.94 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL20412284 0.91 MEN1 (0.49) MEN1APEX1KMT2AMAPTSMN1; SMN2
Tunicamycin SCHEMBL29352796 0.90 MEN1 (0.55) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL20412286 0.87 MEN1 (0.48) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL20412289 0.86 SLC28A1 (0.60) P2RY14P2RY2P2RY6P2RY4SLC28A1
Tunicamycin B SCHEMBL21597944 0.85 MEN1 (0.72) MEN1APEX1KMT2AMAPTSMN1; SMN2

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-20180208620-A1 TUNICAMYCIN RELATED COMPOUNDS WITH ANTI-BACTERIAL ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2018-07-26 — — 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-20180208620-A1 TUNICAMYCIN RELATED COMPOUNDS WITH ANTI-BACTERIAL ACTIVITY UGGT1, UNG, AMPD2 MEN1 4610/4885APEX1 809/4885KMT2A 2929/4885

“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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