SCHEMBL12880529

SCHEMBL12880529

CS(=O)(=O)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.37
MTOR P42345 3/20 0.37
ENPP2 Q13822 2/20 0.36
SLC2A1 P11166 1/20 0.35
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AKT1 P31749 1/20 0.34
USP2 O75604 1/20 0.33
STAT6 P42226 1/20 0.33

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
SCHEMBL12880530 0.92 ENPP2 (0.36) PIK3CAMTORENPP2SLC2A1CYP1A2
SCHEMBL12880539 0.88 PIK3CA (0.34) PIK3CAMTORCYP1A2ALDH1A1CASP1
SCHEMBL12880534 0.87 ENPP2 (0.38) PIK3CAMTORENPP2SLC2A1CYP1A2
SCHEMBL12880542 0.87 IDO1 (0.37) PIK3CAMTORENPP2SLC2A1CYP1A2
SCHEMBL12894068 0.86 JAK2 (0.38) PIK3CAMTORSLC2A1CYP3A4CSNK1D
SCHEMBL12880535 0.85 LMNA (0.40) PIK3CAMTORENPP2SLC2A1CYP1A2
SCHEMBL12880527 0.85 JAK2 (0.38) PIK3CAMTORENPP2SLC2A1CYP1A2
SCHEMBL823399 0.84 LMNA (0.41) PIK3CAMTORENPP2SLC2A1CYP1A2
SCHEMBL12880536 0.84 KMT2A (0.38) PIK3CAENPP2SLC2A1ALDH1A1TSHR
SCHEMBL13512869 0.84 SLC2A1 (0.33) PIK3CAMTORENPP2SLC2A1CYP1A2

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 16 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 claimed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
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-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-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 PIK3CA 1718/4885MTOR 1171/4885ENPP2 2100/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 PIK3CA 1718/4885MTOR 1171/4885ENPP2 2100/4885

“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.