SCHEMBL755642

SCHEMBL755642

CC(C)(C)ON1CC(c2cc(CCc3ccccc3)ncn2)=C(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.37
LIPG Q9Y5X9 2/20 0.34
MAP2K7 O14733 1/20 0.33
NAE1 Q13564 2/20 0.33
UBA3 Q8TBC4 2/20 0.33
PLA2G2A P14555 3/20 0.32
DAO P14920 1/20 0.32
AOC3 Q16853 1/20 0.31
EGFR P00533 4/20 0.30
GSK3B P49841 1/20 0.30
KIT P10721 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL753418 0.85 BACE1 (0.39) BACE1LIPGMAP2K7NAE1UBA3
SCHEMBL752280 0.84 LIPG (0.45) BACE1LIPGMAP2K7NAE1UBA3
SCHEMBL752338 0.81 LIPG (0.39) BACE1LIPGMAP2K7NAE1UBA3
SCHEMBL752035 0.81 BACE1 (0.39) BACE1LIPGMAP2K7NAE1UBA3
SCHEMBL755672 0.79 BACE1 (0.40) BACE1LIPGMAP2K7NAE1UBA3
SCHEMBL752342 0.76 KMT2A (0.37) BACE1ALDH1A1
SCHEMBL753054 0.73 LIPG (0.39) BACE1LIPGPLA2G2ADAOAOC3
SCHEMBL755033 0.71 CSNK1A1 (0.33) PLA2G2ADAOAOC3
SCHEMBL13754947 0.65 KCNH2 (0.56) BACE1MAP2K7EGFRALDH1A1HSD17B10
SCHEMBL752132 0.64 LIPG (0.45) BACE1LIPGGSK3BALDH1A1

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 BACE1 1504/4885LIPG 3541/4885MAP2K7 1723/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BACE1 1681/4885LIPG 4229/4885MAP2K7 1314/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI BACE1 1681/4885LIPG 4229/4885MAP2K7 1314/4885

“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.