SCHEMBL2880400

SCHEMBL2880400

O=C(O)c1nc2c(N3CCCS3(=O)=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP11B2 P19099 1/20 0.35
PTGER1 P34995 1/20 0.35
CYP3A4 P08684 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
BRD4 O60885 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34

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
SCHEMBL2866436 0.88 ALKBH1 (0.39) ALKBH1MEN1KMT2ACYP11B2CYP3A4
SCHEMBL2813769 0.84 ALKBH1 (0.40) ALKBH1MEN1KMT2ACYP11B2CYP3A4
SCHEMBL13935109 0.83 ALKBH1 (0.39) ALKBH1MEN1KMT2ACYP11B2CYP3A4
SCHEMBL1221748 0.83 ALKBH1 (0.42) ALKBH1MEN1KMT2ACYP11B2PTGER1
SCHEMBL12505491 0.83 ALKBH1 (0.42) ALKBH1MEN1KMT2ACYP11B2CYP3A4
SCHEMBL2817380 0.82 ALKBH1 (0.38) ALKBH1MEN1KMT2ACYP3A4LRRK2
SCHEMBL1222271 0.81 CYP3A4 (0.44) ALKBH1MEN1KMT2ACYP11B2CYP3A4
SCHEMBL1221713 0.81 MRGPRX4 (0.42) ALKBH1MEN1KMT2ACYP3A4LRRK2
SCHEMBL1222292 0.80 USP2 (0.34) ALKBH1MEN1KMT2ACYP11B2CYP3A4
SCHEMBL2816713 0.77 ALKBH1 (0.38) ALKBH1MEN1KMT2ACYP3A4LRRK2

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-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
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-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
EP-2212324-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES Avexa Limited (AU) 2010-08-04 EP 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-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 ALKBH1 497/4885MEN1 1800/4885KMT2A 3774/4885

“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.