SCHEMBL756168

SCHEMBL756168

CC(C)N1CC(c2ccc(Oc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.38
HRH3 Q9Y5N1 2/20 0.38
LIPG Q9Y5X9 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SCN4A P35499 4/20 0.37
SCN9A Q15858 1/20 0.35
KCNH2 Q12809 2/20 0.34
GHSR Q92847 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CSF1R P07333 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 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
SCHEMBL754568 0.90 ACACB (0.40) IDH1HRH3LIPGALDH1A1
SCHEMBL757191 0.87 HRH3 (0.40) IDH1HRH3LIPGEGLN1SCN4A
SCHEMBL2486824 0.87 HRH3 (0.43) IDH1HRH3LIPGEGLN1KCNH2
SCHEMBL752971 0.85 LIPG (0.49) IDH1HRH3LIPGEGLN1SCN4A
SCHEMBL755368 0.83 HRH3 (0.39) IDH1HRH3LIPGEGLN1SCN4A
SCHEMBL751851 0.82 CYP11B1 (0.32) IDH1LIPGALDH1A1CSF1RMET
SCHEMBL753694 0.80
SCHEMBL754375 0.76 FYN (0.33) IDH1LIPGALDH1A1MET
SCHEMBL751868 0.76 ALKBH1 (0.43) HRH3LIPG
SCHEMBL755270 0.75 HRH3 (0.38) IDH1HRH3LIPGEGLN1ALDH1A1

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 IDH1 126/4885HRH3 2859/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI IDH1 147/4885HRH3 2614/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI IDH1 147/4885HRH3 2614/4885LIPG 4229/4885

“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.