SCHEMBL4810892

SCHEMBL4810892

CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
PTPN1 P18031 1/20 0.52
CA2 P00918 14/20 0.48
CA12 O43570 13/20 0.48
CA1 P00915 13/20 0.48
CA4 P22748 11/20 0.48
CA5A P35218 11/20 0.48
CA7 P43166 11/20 0.48
CA5B Q9Y2D0 11/20 0.48
CA9 Q16790 7/20 0.48
CA6 P23280 4/20 0.48
CA13 Q8N1Q1 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46
P4HB P07237 1/20 0.45
PDIA4 P13667 1/20 0.45
PDIA3 P30101 1/20 0.45

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
SCHEMBL15269920 0.89 TSHR (0.52) TSHRPTPN1CA2CA12CA1
SCHEMBL15269916 0.89 TSHR (0.52) TSHRPTPN1CA2CA12CA1
SCHEMBL18466634 0.89 TSHR (0.67) TSHRPTPN1CA2CA12CA1
SCHEMBL12601659 0.87 TSHR (0.64) TSHRPTPN1CA2CA12CA1
SCHEMBL12334423 0.87 TSHR (0.64) TSHRPTPN1CA2CA12CA1
SCHEMBL15368881 0.87 TSHR (0.64) TSHRPTPN1CA2CA12CA1
SCHEMBL12649999 0.87 TSHR (0.64) TSHRPTPN1CA2CA12CA1
SCHEMBL2469148 0.87 TSHR (0.64) TSHRPTPN1CA2CA12CA1
SCHEMBL222652 0.87 TSHR (0.64) TSHRPTPN1CA2CA12CA1
SCHEMBL2865475 0.86 TSHR (0.63) TSHRPTPN1CA2CA12CA1

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 5 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-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-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-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 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 (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-20060035841-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 TSHR 3664/4885PTPN1 127/4885CA2 838/4885
US-20060025349-A1 D-xylopyranosyl-phenyl-substituted cycles, medicaments containing such compounds, their use and process for their manufacture SLC5A1, SLC5A2, SLC2A1 TSHR 3665/4885PTPN1 180/4885CA2 939/4885

“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.