SCHEMBL12880531

SCHEMBL12880531

O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3CN3CCCS3(=O)=O)s2)nc2ccc(N3CCOCC3)cn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 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

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
SCHEMBL12880533 0.90 SLC2A1 (0.34) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2
SCHEMBL12880544 0.89 GRIA2 (0.31) LMNASMN1; SMN2MEN1POLBKMT2A
SCHEMBL12880532 0.88 SLC2A1 (0.33) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2
SCHEMBL12880535 0.87 LMNA (0.40) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2
SCHEMBL14749134 0.86 CSNK1D (0.33) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2
SCHEMBL12880534 0.85 ENPP2 (0.38) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2
SCHEMBL12138822 0.85 ALDH1A1 (0.38) LMNASMN1; SMN2MEN1POLBKMT2A
SCHEMBL12880542 0.83 IDO1 (0.37) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2
SCHEMBL13512869 0.82 SLC2A1 (0.33) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2
SCHEMBL12880529 0.81 PIK3CA (0.37) SLC2A1CSNK1DCSNK1ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP 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 (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-20110039842-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.