SCHEMBL754314

SCHEMBL754314

CN1CC(c2ccc(OCc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.48
CYP4F2 P78329 4/20 0.46
CYP4A11 Q02928 4/20 0.46
MAOB P27338 5/20 0.41
MAOA P21397 1/20 0.41
NR4A2 P43354 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ALKBH1 Q13686 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL754370 0.86 LIPG (0.47) LIPGMAOBMAOANR4A2POLB
SCHEMBL752971 0.86 LIPG (0.49) LIPGHRH3
SCHEMBL752929 0.86 CYP4F2 (0.44) LIPGCYP4F2CYP4A11MAOBMAOA
SCHEMBL752339 0.84 LIPG (0.42) LIPGPOLBRECQL
SCHEMBL753011 0.79 JAK2 (0.45) LIPGMAOBMAOAPOLBRECQL
SCHEMBL754214 0.77 LIPG (0.45) LIPGHRH3
SCHEMBL755059 0.77 LIPG (0.40) LIPGPOLBRECQL
SCHEMBL764564 0.77 HRH3 (0.35) LIPGPOLBHRH3NPC1
SCHEMBL752082 0.76 LIPG (0.43) LIPGMAOBMAOANR4A2POLB
SCHEMBL755290 0.75 LIPG (0.50) LIPGHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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-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 3541/4885CYP4F2 2346/4885CYP4A11 787/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885CYP4F2 2332/4885CYP4A11 698/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885CYP4F2 2332/4885CYP4A11 698/4885

“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.