SCHEMBL1670099

SCHEMBL1670099

CCOC(=O)C(C)(C)Oc1ccc(Cc2cc([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
FBP1 P09467 4/20 0.38
SLC5A2 P31639 12/20 0.37
SLC5A1 P13866 3/20 0.35
ADRA2A P08913 1/20 0.35
SLC5A11 Q8WWX8 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL18522187 1.00 TSHR (0.42) TSHRFBP1SLC5A2SLC5A1ADRA2A
SCHEMBL16730392 1.00 TSHR (0.42) TSHRFBP1SLC5A2SLC5A1ADRA2A
SCHEMBL15030984 1.00 TSHR (0.42) TSHRFBP1SLC5A2SLC5A1ADRA2A
SCHEMBL10228177 1.00 TSHR (0.42) TSHRFBP1SLC5A2SLC5A1ADRA2A
SCHEMBL18511215 0.94 FBP1 (0.37) TSHRFBP1SLC5A2SLC5A1ADRA2A
SCHEMBL18522190 0.89 FBP1 (0.38) FBP1SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL16727620 0.89 FBP1 (0.38) FBP1SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL10177114 0.89 FBP1 (0.38) FBP1SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL16090886 0.89 FBP1 (0.38) FBP1SLC5A2SLC5A1ADRA2ASLC5A11
SCHEMBL15030918 0.88 FBP1 (0.36) FBP1SLC5A2CYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
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
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8828951-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8466114-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2013-06-18 US disclosed
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2491029-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2012-08-29 EP disclosed
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2012-07-12 US disclosed
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
WO-2011048112-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-04-28 WO 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 (6 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 4409/4885FBP1 217/4885SLC5A2 2/4885
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885FBP1 217/4885SLC5A2 2/4885
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885FBP1 217/4885SLC5A2 2/4885
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885FBP1 217/4885SLC5A2 2/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885FBP1 217/4885SLC5A2 2/4885
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 TSHR 4409/4885FBP1 217/4885SLC5A2 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.