SCHEMBL754418

SCHEMBL754418

COCOC(OC)c1c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)cc[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL752064 0.76 POLB (0.41) POLBALDH1A1HTTNPSR1
SCHEMBL754417 0.67 ALDH1A1 (0.36) POLBALDH1A1HTTNPSR1
SCHEMBL751864 0.67 LIPG (0.42) POLBALDH1A1HTTNPSR1
SCHEMBL27777088 0.66 POLB (0.37) POLBALDH1A1HTTNPSR1
SCHEMBL754619 0.65 POLB (0.39) POLBALDH1A1HTTNPSR1
SCHEMBL754588 0.65 ALDH1A1 (0.39) POLBALDH1A1HTT
SCHEMBL27777099 0.64 LIPG (0.43) POLBALDH1A1HTTNPSR1
SCHEMBL753326 0.64 LIPG (0.46) POLBALDH1A1HTTNPSR1
SCHEMBL4676184 0.64 HTT (0.75) POLBALDH1A1HTTNPSR1
SCHEMBL754971 0.63 LIPG (0.55) POLBALDH1A1HTTNPSR1

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 POLB 89/4885ALDH1A1 658/4885HTT 4561/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885ALDH1A1 424/4885HTT 4541/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI POLB 107/4885ALDH1A1 424/4885HTT 4541/4885

“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.