SCHEMBL754114

SCHEMBL754114

COC(=O)C(O)=CC(=O)c1oc(C(C)(C)OC)cc1Cc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPK14 Q16539 1/20 0.34
PPARA Q07869 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
GPR55 Q9Y2T6 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90B1 P14625 1/20 0.32
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL754113 1.00 CA12 (0.34) CA12CA1CA2CA9MAPK14
SCHEMBL2485043 0.92 MAPK14 (0.42) CA12CA1CA2CA9MAPK14
SCHEMBL2485045 0.92 MAPK14 (0.42) CA12CA1CA2CA9MAPK14
SCHEMBL753145 0.84 CNR2 (0.37) CA12CA1CA2CA9CNR2
SCHEMBL753146 0.84 CNR2 (0.37) CA12CA1CA2CA9CNR2
SCHEMBL765758 0.81 CNR2 (0.37) MAPK14PPARACNR2CNR1GPR55
SCHEMBL765533 0.80 MAPK14 (0.37) MAPK14PPARACNR2CNR1GPR55
SCHEMBL755492 0.79 RAB9A (0.34) CA12CA1CA2CA9GPR55
SCHEMBL2486036 0.79 ALDH1A1 (0.38) CNR2CNR1GPR55KMT2AKDM4E
SCHEMBL2486035 0.79 ALDH1A1 (0.38) CNR2CNR1GPR55KMT2AKDM4E

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 11 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-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 CA12 4846/4885CA1 4794/4885CA2 4666/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA12 4630/4885CA1 4422/4885CA2 4439/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA12 4630/4885CA1 4422/4885CA2 4439/4885

“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.