Sugi Predict

Sugi Predict / Compounds / SCHEMBL1222271

SCHEMBL1222271

SCHEMBL1222271

CC(=O)c1cc(N2CCOCC2)cn2c(=O)c(OCc3ccccc3)c(C(=O)O)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ SLCO1B1 Q9Y6L6 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALKBH1 Q13686 1/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ PRKDC P78527 5/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ CFTR P13569 1/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37

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
SCHEMBL12880836 0.92 MRGPRX4 (0.44) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL12505491 0.88 ALKBH1 (0.42) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL1221748 0.88 ALKBH1 (0.42) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL12880835 0.86 MRGPRX4 (0.43) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL12894058 0.86 ALDH1A1 (0.38) CYP3A4LRRK2MEN1KMT2APRKDC
SCHEMBL2817380 0.83 ALKBH1 (0.38) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL2816713 0.83 ALKBH1 (0.38) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL13935109 0.83 ALKBH1 (0.39) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL2816717 0.83 PIK3CB (0.41) CYP3A4LRRK2SLCO1B1MEN1KMT2A
SCHEMBL2866436 0.83 ALKBH1 (0.39) CYP3A4LRRK2SLCO1B1MEN1KMT2A

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 9 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

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 CYP3A4 248/4885LRRK2 3053/4885SLCO1B1 122/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 CYP3A4 248/4885LRRK2 3053/4885SLCO1B1 122/4885

“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.