Sugi Predict

Sugi Predict / Compounds / SCHEMBL2866436

SCHEMBL2866436

SCHEMBL2866436

CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)O)nc23)S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH1 Q13686 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ CFTR P13569 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ HSD17B10 Q99714 6/20 0.35
▸ TSHR P16473 3/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL1221713 0.93 MRGPRX4 (0.42) ALKBH1BRD4MRGPRX4CFTRKMT2A
SCHEMBL2880400 0.88 ALKBH1 (0.39) ALKBH1BRD4MRGPRX4KMT2AMEN1
SCHEMBL15091857 0.86 HTR6 (0.39) BRD4KMT2AMEN1ALDH1A1HPGD
SCHEMBL2817380 0.85 ALKBH1 (0.38) ALKBH1BRD4MRGPRX4CFTRKMT2A
SCHEMBL13935109 0.83 ALKBH1 (0.39) ALKBH1MRGPRX4KMT2AMEN1ALDH1A1
SCHEMBL1222271 0.83 CYP3A4 (0.44) ALKBH1BRD4MRGPRX4CFTRKMT2A
SCHEMBL12505491 0.83 ALKBH1 (0.42) ALKBH1BRD4MRGPRX4CFTRKMT2A
SCHEMBL1221748 0.83 ALKBH1 (0.42) ALKBH1BRD4MRGPRX4CFTRKMT2A
SCHEMBL2813769 0.83 ALKBH1 (0.40) ALKBH1MRGPRX4CFTRKMT2AMEN1
SCHEMBL1221947 0.80 ALDH1A1 (0.35) ALKBH1BRD4KMT2AMEN1ALDH1A1

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 497/4885BRD4 3765/4885MRGPRX4 1093/4885

“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.