SCHEMBL20480771

SCHEMBL20480771

CC(CCC(=O)OCCN=[N+]=[N-])C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)C(CC(=O)O)Nc5ccc([N+](=O)[O-])c6nonc56)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 18/20 1.00
ST3GAL1 Q11201 2/20 0.83
ST3GAL3 Q11203 1/20 0.83

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
SCHEMBL18576098 1.00 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20480772 1.00 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20480697 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20479982 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL18575716 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20479979 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20479985 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20480252 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL20480694 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3
SCHEMBL18575946 0.97 ST6GAL1 (1.00) ST6GAL1ST3GAL1ST3GAL3

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-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 US disclosed
US-20180244713-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2018-08-30 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-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 ST6GAL1 1/4885ST3GAL1 16/4885ST3GAL3 21/4885
US-20180244713-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ST6GAL1, NEU1, GALNT1 ST6GAL1 1/4885ST3GAL1 16/4885ST3GAL3 21/4885

“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.