SCHEMBL13210232

SCHEMBL13210232

CC(=O)NC1C(O)[C@H](O)C(CO)O[C@@H]1OC1O[C@H](C[C@@H](O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)[C@H]1NC(=O)/C=C/CC(C)C

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ P2RY14 Q15391 5/20 0.52
▸ P2RY2 P41231 2/20 0.52
▸ P2RY6 Q15077 2/20 0.52
▸ P2RY4 P51582 1/20 0.52
▸ OGT O15294 2/20 0.46
▸ SLC28A1 O00337 1/20 0.45
▸ SLC28A2 O43868 1/20 0.45
▸ SLC29A1 Q99808 1/20 0.45
▸ SLC28A3 Q9HAS3 1/20 0.45

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
SCHEMBL30438116 1.00 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL25269457 1.00 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL3738697 1.00 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL25251763 1.00 MEN1 (0.59) MEN1APEX1KMT2AMAPTSMN1; SMN2
Tunicamycin SCHEMBL29352796 0.96 MEN1 (0.55) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL20412283 0.94 MEN1 (0.52) MEN1APEX1KMT2AMAPTSMN1; SMN2
Tunicamycin B SCHEMBL21597944 0.91 MEN1 (0.72) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL21597951 0.91 MEN1 (0.72) MEN1APEX1KMT2AMAPTSMN1; SMN2
Streptovirudin B2A SCHEMBL21597942 0.91 MEN1 (0.72) MEN1APEX1KMT2AMAPTSMN1; SMN2
SCHEMBL21597940 0.91 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 — — US disclosed
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-03-20 — — US disclosed
US-8557844-B2 Substrate reduction therapy THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2013-10-15 — — US disclosed
US-20100204162-A1 SUBSTRATE REDUCTION THERAPY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-08-12 — — US disclosed
US-20100022620-A1 EPITOPE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2010-01-28 — — 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 (3 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-20100204162-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 MEN1 2550/4885APEX1 2870/4885KMT2A 1611/4885
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 MEN1 2550/4885APEX1 2870/4885KMT2A 1611/4885
US-20100022620-A1 EPITOPE REDUCTION THERAPY UGCG, GBA1, ENGASE MEN1 2963/4885APEX1 1959/4885KMT2A 2152/4885

“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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