SCHEMBL752971

SCHEMBL752971

CN1CC(c2ccc(Oc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.49
SCN4A P35499 4/20 0.37
EGLN1 Q9GZT9 1/20 0.37
SCN9A Q15858 1/20 0.37
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
CSF1R P07333 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
MMP13 P45452 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
LTA4H P09960 1/20 0.34
IDH1 O75874 1/20 0.33
RIPK1 Q13546 2/20 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
SCHEMBL754428 0.89 LIPG (0.48) LIPGLTA4HIDH1
SCHEMBL755290 0.86 LIPG (0.50) LIPGSCN4AEGLN1SCN9AHRH3
SCHEMBL754314 0.86 LIPG (0.48) LIPGHRH3
SCHEMBL754214 0.86 LIPG (0.45) LIPGEGLN1HRH3MMP13KDM4E
SCHEMBL756168 0.85 IDH1 (0.38) LIPGSCN4AEGLN1SCN9AHRH3
SCHEMBL754174 0.82 LIPG (0.46) LIPGSCN4AEGLN1HRH3MMP13
SCHEMBL764564 0.81 HRH3 (0.35) LIPGHRH3KCNH2
SCHEMBL752339 0.81 LIPG (0.42) LIPGCSF1RMETALDH1A1
SCHEMBL753271 0.79 LIPG (0.34) LIPG
SCHEMBL755059 0.74 LIPG (0.40) LIPGMETALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT LIPG 3541/4885SCN4A 3942/4885EGLN1 2565/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885SCN4A 4087/4885EGLN1 2916/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885SCN4A 4087/4885EGLN1 2916/4885

“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.