SCHEMBL752712

SCHEMBL752712

CC(C)N1CC(C(=O)c2ccoc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.35
HSP90AA1 P07900 1/20 0.31
IDH1 O75874 2/20 0.31
NPSR1 Q6W5P4 2/20 0.30
KDM4E B2RXH2 2/20 0.30
ALOX12 P18054 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CCR6 P51684 1/20 0.30
KMT2A Q03164 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2777764 0.86 LIPG (0.48) LIPG
SCHEMBL753282 0.83 LIPG (0.37) LIPGHSP90AA1NPSR1KDM4EALOX12
SCHEMBL752970 0.82 PTGIR (0.37) LIPGNPSR1ALDH1A1
SCHEMBL753520 0.80 LIPG (0.38) LIPGHSP90AA1IDH1NPSR1KDM4E
SCHEMBL754318 0.80 LIPG (0.36) LIPGHSP90AA1NPSR1KDM4EALOX12
SCHEMBL752004 0.80 ALDH1A1 (0.40) LIPGNPSR1KDM4EALOX12MEN1
SCHEMBL752757 0.79 NPSR1 (0.35) LIPGIDH1NPSR1KDM4EALOX12
SCHEMBL752870 0.78 LIPG (0.35) LIPGIDH1NPSR1MAPT
SCHEMBL754559 0.78 LIPG (0.35) LIPGHSP90AA1IDH1KDM4EALDH1A1
SCHEMBL3428686 0.78 HSD17B2 (0.38) LIPGNPSR1KDM4EALOX12MEN1

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 3541/4885HSP90AA1 3375/4885IDH1 126/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HSP90AA1 3583/4885IDH1 147/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HSP90AA1 3583/4885IDH1 147/4885

“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.