SCHEMBL6744402

SCHEMBL6744402

[CH2]c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.69
CYSLTR2 Q9NS75 5/20 0.69
GPBAR1 Q8TDU6 7/20 0.67
PDE10A Q9Y233 1/20 0.63
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL8736552 0.86 PDE10A (0.64) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL6088376 0.84 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8098339 0.83 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10512475 0.83 PDE10A (0.77) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL10547998 0.82 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10513942 0.82 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL10690028 0.82 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10ATP53
Hydrogen Sulfide SCHEMBL9818428 0.82 CYSLTR1 (0.71) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9047808 0.82 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL10510977 0.82 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1PDE10ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-1173193-A4 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME UNIV PRINCETON (US) 2003-01-29 EP disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1173193-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME The Trustees of Princeton University (US) 2002-01-23 EP disclosed
WO-2000059528-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-10-12 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 CYSLTR1 2294/4885CYSLTR2 2589/4885GPBAR1 2339/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS CYSLTR1 2866/4885CYSLTR2 3183/4885GPBAR1 2659/4885

“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.