SCHEMBL16730397

SCHEMBL16730397

CC(=O)OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O)cc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)C1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
SLC5A2 P31639 12/20 0.52
SLC5A1 P13866 7/20 0.52
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA6 P23280 4/20 0.47
CA5A P35218 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA13 Q8N1Q1 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CA5B Q9Y2D0 4/20 0.47
PTPN1 P18031 1/20 0.45
ADRA2A P08913 1/20 0.43
SLC5A11 Q8WWX8 1/20 0.43

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
SCHEMBL29657545 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL19954139 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL1670185 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL15030982 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL14248230 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL10228174 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL19415602 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL14644614 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL16730395 1.00 TSHR (0.57) TSHRSLC5A2SLC5A1CA12CA1
SCHEMBL14081703 0.93 TSHR (0.58) TSHRSLC5A2SLC5A1PTPN1ADRA2A

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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885SLC5A2 2/4885SLC5A1 1/4885
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885SLC5A2 2/4885SLC5A1 1/4885

“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.