SCHEMBL765857

SCHEMBL765857

O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1)c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.47
RXFP1 Q9HBX9 3/20 0.41
PPARG P37231 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
RAB9A P51151 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
MAPK14 Q16539 1/20 0.37
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
PRNP P04156 1/20 0.37

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
SCHEMBL755124 0.92 DRD2 (0.40) LIPGRXFP1PPARGNCOR2PARP1
SCHEMBL754447 0.86 LIPG (0.41) LIPGLMNAALDH1A1POLB
SCHEMBL754217 0.85 LIPG (0.40) LIPGRXFP1LMNAALDH1A1POLB
SCHEMBL752965 0.85 LIPG (0.41) LIPGLMNAALDH1A1POLB
SCHEMBL2489852 0.84 LIPG (0.44) LIPGHTTRAB9AALDH1A1POLB
SCHEMBL2486832 0.83 ALDH1A1 (0.41) LIPGLMNAALDH1A1POLB
SCHEMBL752862 0.83 LIPG (0.41) LIPGHTTLMNAPARP1ALDH1A1
SCHEMBL752899 0.81 LIPG (0.51) LIPGLMNAALDH1A1POLB
SCHEMBL753279 0.81 ALDH1A1 (0.46) LIPGHTTLMNAALDH1A1POLB
SCHEMBL754682 0.81 ALDH1A1 (0.39) LIPGRXFP1KMT2ALMNAALDH1A1

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 LIPG 3541/4885RXFP1 4551/4885PPARG 4065/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885RXFP1 4067/4885PPARG 3165/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885RXFP1 4067/4885PPARG 3165/4885

“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.