SCHEMBL14644615

SCHEMBL14644615

CC(=O)OC[C@H]1OC(c2ccc(Cl)c(Cc3ccc(O)c([N+](=O)[O-])c3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
PTPN1 P18031 1/20 0.40
SLC5A2 P31639 9/20 0.40
CA12 O43570 9/20 0.39
CA1 P00915 9/20 0.39
CA2 P00918 9/20 0.39
CA9 Q16790 7/20 0.39
CA4 P22748 4/20 0.39
CA5A P35218 4/20 0.39
CA7 P43166 4/20 0.39
CA5B Q9Y2D0 4/20 0.39
CA6 P23280 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 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
SCHEMBL10228169 1.00 TSHR (0.49) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL29657483 1.00 TSHR (0.49) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL16730393 1.00 TSHR (0.49) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL16730398 1.00 TSHR (0.49) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL15030983 1.00 TSHR (0.49) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL1670038 1.00 TSHR (0.49) TSHRPTPN1SLC5A2CA12CA1
SCHEMBL18511218 0.94 TSHR (0.41) TSHRSLC5A2CA12CA1CA2
SCHEMBL10328151 0.94 TSHR (0.41) TSHRSLC5A2CA12CA1CA2
SCHEMBL18511214 0.94 TSHR (0.41) TSHRSLC5A2CA12CA1CA2
SCHEMBL16730399 0.86 TSHR (0.53) TSHRPTPN1SLC5A2CA12CA1

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-8828951-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2014-09-09 US disclosed
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2013-01-17 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-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885PTPN1 723/4885SLC5A2 2/4885

“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.