SCHEMBL355529

SCHEMBL355529

COC(=O)C(C)(C)COCCO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DGAT1 O75907 2/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30805232 0.88 CYP4A11 (0.41) TSHRDGAT1CYP4F2CYP4A11
SCHEMBL20730298 0.84 CYP4F2 (0.46) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL17574066 0.84 DGAT1 (0.42) TSHRALDH1A1DGAT1
SCHEMBL2183590 0.83 DGAT1 (0.35) TSHRALDH1A1DGAT1THRB
SCHEMBL10682128 0.83 DGAT1 (0.35) TSHRMAPK1ALDH1A1DGAT1THRB
SCHEMBL13391772 0.81 ALDH1A1 (0.43) TSHRALDH1A1DGAT1CYP4F2CYP4A11
SCHEMBL21614510 0.81 DGAT1 (0.39) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL16869153 0.81 DGAT1 (0.34) TSHRMEN1KMT2ADGAT1THRB
SCHEMBL27265814 0.81 DGAT1 (0.34) DGAT1
SCHEMBL356764 0.81 DGAT1 (0.34) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560976-B9 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-06-07 EP disclosed
EP-2560976-B9 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-06-07 EP disclosed
EP-2560976-B1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-08-24 EP disclosed
EP-2560976-B1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-08-24 EP disclosed
EP-2560976-A1 FUROPYRIDINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2013-02-27 EP disclosed
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 US disclosed
WO-2011131709-A1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-10-27 WO disclosed
WO-2011131709-A1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-10-27 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 (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-20120015907-A1 Furopyridine compounds and uses thereof CYP3A5, QDPR, DPYD TSHR 3808/4885MAPK1 2647/4885ALDH1A1 178/4885

“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.