SCHEMBL752435

SCHEMBL752435

COc1c(C(=O)N(C)OC)cnc(C)c1OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
NNMT P40261 1/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 4/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
MLYCD O95822 1/20 0.32
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL2489464 0.78 KDM4E (0.49) HPGDNNMTKDM4EKMT2A
SCHEMBL754676 0.76 KDM4E (0.41) HPGDNNMTKDM4EKMT2A
SCHEMBL30041415 0.73 OPRK1 (0.37) PIK3CAMTORKMT2A
SCHEMBL21591708 0.73 OPRK1 (0.37) PIK3CAMTORKMT2A
SCHEMBL17157458 0.72 PIK3CA (0.39) HPGDPIK3CAMTORKDM4EMLYCD
SCHEMBL25231763 0.70 PIK3C3 (0.41) NNMTPIK3CAMTORCLK1DYRK1A
SCHEMBL16782996 0.70 NNMT (0.46) NNMTPIK3CAMTORCLK1DYRK1A
SCHEMBL30961457 0.70 PLAU (0.36) HPGDNNMTCLK1DYRK1ADYRK1B
SCHEMBL24612469 0.70 NNMT (0.40) NNMTPIK3CAMTORKMT2AMLYCD
SCHEMBL31021815 0.69 ICAM1 (0.35) NNMTPIK3CAMTORCLK1DYRK1A

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 17 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US 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 HPGD 2278/4885NNMT 305/4885PIK3CA 1285/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HPGD 2594/4885NNMT 262/4885PIK3CA 1414/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HPGD 2594/4885NNMT 262/4885PIK3CA 1414/4885

“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.