SCHEMBL756379

SCHEMBL756379

COC(=O)C(=Cc1ccc(OCc2ccc(F)cc2)cn1)OC(=O)OC(C)(C)C(Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
MAOB P27338 5/20 0.37
NR4A2 P43354 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MAOA P21397 1/20 0.35
FFAR1 O14842 1/20 0.35
ALKBH1 Q13686 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
BACE1 P56817 1/20 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
SCHEMBL756378 1.00 PPARG (0.38) PPARGMAOBNR4A2PARP10MAOA
SCHEMBL752092 0.83 CNR2 (0.35)
SCHEMBL752091 0.83 CNR2 (0.35)
SCHEMBL753724 0.79 GRM2 (0.34)
SCHEMBL753725 0.79 GRM2 (0.34)
SCHEMBL16921583 0.77 NR4A2 (0.48) MAOBNR4A2PARP10MAOAFFAR1
SCHEMBL754321 0.77 NR4A2 (0.48) MAOBNR4A2PARP10MAOAFFAR1
SCHEMBL755968 0.67 MAOB (0.56) MAOBNR4A2PARP10MAOAALKBH1
SCHEMBL1563358 0.65 MAOB (0.51) PPARGMAOBFFAR1
SCHEMBL13754898 0.65 MAOB (0.51) PPARGMAOBFFAR1

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 PPARG 4065/4885MAOB 709/4885NR4A2 907/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PPARG 3165/4885MAOB 900/4885NR4A2 949/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PPARG 3165/4885MAOB 900/4885NR4A2 949/4885

“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.