SCHEMBL1908833

SCHEMBL1908833

C=CCC(C)(COC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.36
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
MMP8 P22894 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 1/20 0.31
PPARA Q07869 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 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
SCHEMBL12751316 0.87 PKM (0.41) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL31306896 0.84 PKM (0.39) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL354404 0.83 CYP4F2 (0.36) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL3977030 0.76 PKM (0.44) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL4548473 0.76 CYP4F2 (0.47) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL12562580 0.75 ALDH1A1 (0.46) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL2710202 0.74 PKM (0.40) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL18937187 0.74 CYP4F2 (0.42) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL19688129 0.74 PKM (0.39) PKMCYP4F2CYP4A11MMP8KDM4E
SCHEMBL283884 0.74 MEN1 (0.46) PKMCYP4F2CYP4A11MMP8KDM4E

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 7 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-B1 FUROPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2016-08-24 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-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

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 PKM 528/4885CYP4F2 13/4885CYP4A11 186/4885

“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.