SCHEMBL12880532

SCHEMBL12880532

O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3N3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
PIK3CA P42336 3/20 0.32
MTOR P42345 2/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ENPP2 Q13822 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
STAT6 P42226 1/20 0.31

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
SCHEMBL13512869 0.90 SLC2A1 (0.33) SLC2A1CSNK1DCSNK1EPIK3CAMTOR
SCHEMBL12880552 0.89 ATR (0.31) ATRATRIP
SCHEMBL12880531 0.88 SLC2A1 (0.34) SLC2A1CSNK1DCSNK1EPIK3CAMTOR
SCHEMBL12880542 0.88 IDO1 (0.37) SLC2A1CSNK1DCSNK1EPIK3CAMTOR
SCHEMBL14749134 0.87 CSNK1D (0.33) SLC2A1CSNK1DCSNK1EPIK3CAMTOR
SCHEMBL12138808 0.84 SMN1; SMN2 (0.38) SLC2A1LMNASMN1; SMN2ALDH1A1
SCHEMBL1221926 0.83 CASP1 (0.34) PIK3CAMTORATRATRIPLMNA
SCHEMBL12880534 0.83 ENPP2 (0.38) SLC2A1CSNK1DCSNK1EPIK3CAMTOR
SCHEMBL12880535 0.82 LMNA (0.40) SLC2A1CSNK1DCSNK1EPIK3CAMTOR
SCHEMBL12880529 0.82 PIK3CA (0.37) SLC2A1CSNK1DCSNK1EPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 US disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 US disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 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 (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-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 SLC2A1 751/4885CSNK1D 889/4885CSNK1E 719/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 SLC2A1 751/4885CSNK1D 889/4885CSNK1E 719/4885

“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.