SCHEMBL7045459

SCHEMBL7045459

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA2 P00918 7/20 0.50
OGA O60502 1/20 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
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CA12 O43570 6/20 0.39
CA1 P00915 5/20 0.39
CA9 Q16790 4/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7155618 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL570264 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL8744183 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL7045455 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL7155622 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL7154743 0.89 CYP2D6 (0.49) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL7154746 0.89 CYP2D6 (0.49) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL7147524 0.89 CYP2D6 (0.49) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL4499808 0.89 CYP2D6 (0.49) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL5829404 0.89 CYP2D6 (0.49) 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
US-20030119762-A1 5'-substituted-ribofuranosyl benzimidazoles as antiviral agents TOWNSEND LEROY B (US) 2003-06-26 US disclosed
EP-0845001-B1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2002-11-13 EP disclosed
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS TOWNSEND LEROY B (US) 2001-08-02 US disclosed
US-5874413-A CYTOMEGALO VIRUS UNIVERSITY OF MICHIGAN (US) 1999-02-23 US disclosed
EP-0845001-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 1998-06-03 EP disclosed
WO-1997007125-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-02-27 WO 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-20030119762-A1 5'-substituted-ribofuranosyl benzimidazoles as antiviral agents ZC3HAV1, ZC3HAV1L, IFNAR1 CYP2D6 515/4885THRB 3675/4885HSD17B10 3111/4885
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, IFNAR1 CYP2D6 515/4885THRB 3675/4885HSD17B10 3111/4885

“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.