SCHEMBL4619733

SCHEMBL4619733

CC(=O)O[C@@H]1O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA2 P00918 8/20 0.47
▸ OGA O60502 1/20 0.45
▸ CA1 P00915 7/20 0.45
▸ CA12 O43570 6/20 0.45
▸ CA4 P22748 4/20 0.45
▸ CA5A P35218 4/20 0.45
▸ CA5B Q9Y2D0 4/20 0.45
▸ CA7 P43166 3/20 0.45
▸ P4HB P07237 1/20 0.41
▸ PDIA4 P13667 1/20 0.41
▸ PDIA3 P30101 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADRA2B P18089 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
SCHEMBL313683 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL13928976 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL9616862 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL6230386 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL3972810 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL4619592 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL8089407 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL314060 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL314061 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL1686174 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888125-A2 POLY(PEPTIDE) AS A CHELATOR: METHODS OF MANUFACTURE AND USES Board of Regents of the University of Texas System (US) 2008-02-20 — — EP disclosed
US-20060246005-A1 Poly(peptide) as a chelator: methods of manufacture and uses THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2006-11-02 — — US disclosed
WO-2006107794-A2 POLY(PEPTIDE) AS A CHELATOR: METHODS OF MANUFACTURE AND USES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-10-12 — — WO disclosed
US-5756712-A REPLACING THE ETHER OXYGEN LINKAGE OF OLIGOSACCHARIDES WITH A PEPTIDE LINK, WHERE THE NITROGEN ATOM IS LINKED TO THE ANOMERIC CARBON ATOM OF THE SUGAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-26 — — US disclosed
EP-0816375-A1 GLYCOCONJUGATES OF OPIATED SUBSTANCES ROLABO SL (ES) 1998-01-07 — — EP disclosed
US-4554349-A Aralkyl and aralkenyl glycosides as inhibitors of antigen-specific T-cell proliferation MERCK & CO., INC. (US) 1985-11-19 — — 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-20060246005-A1 Poly(peptide) as a chelator: methods of manufacture and uses VIP, NGLY1, DNPEP CYP2D6 4869/4885THRB 1340/4885HSD17B10 4832/4885

“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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