SCHEMBL4800281

SCHEMBL4800281

CO[C@@]1(c2ccc(Cl)c(C=C3CCCCC3)c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.39
SLC5A2 P31639 2/20 0.36
CA12 O43570 10/20 0.35
CA9 Q16790 10/20 0.35
CA1 P00915 9/20 0.35
CA2 P00918 8/20 0.35
CA4 P22748 4/20 0.34
CA6 P23280 4/20 0.34
CA5A P35218 4/20 0.34
CA7 P43166 4/20 0.34
CA13 Q8N1Q1 4/20 0.34
CA14 Q9ULX7 4/20 0.34
CA5B Q9Y2D0 4/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 2/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL14081853 1.00 PYGL (0.39) PYGLSLC5A2CA12CA9CA1
SCHEMBL14081858 0.92 PYGL (0.38) PYGLSLC5A2CA12CA9CA1
SCHEMBL4804254 0.92 PYGL (0.38) PYGLSLC5A2CA12CA9CA1
SCHEMBL4806328 0.92 PYGL (0.38) PYGLSLC5A2CA12CA9CA1
SCHEMBL14081860 0.92 PYGL (0.38) PYGLSLC5A2CA12CA9CA1
SCHEMBL4808832 0.91 PYGL (0.37) PYGLSLC5A2CA12CA9CA1
SCHEMBL14081861 0.91 PYGL (0.37) PYGLSLC5A2CA12CA9CA1
SCHEMBL4808235 0.89 PYGL (0.39) PYGLSLC5A2CA12CA9CA1
SCHEMBL14081863 0.85 PYGL (0.38) PYGLSLC5A2CA12CA9CA1
SCHEMBL4805099 0.81 PYGL (0.39) PYGLSLC5A2CA12CA9CA1

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-7417032-B2 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-26 US disclosed
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 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 (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-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 PYGL 18/4885SLC5A2 2/4885CA12 3531/4885

“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.