SCHEMBL756036

SCHEMBL756036

COCNC(=O)c1oc(C(C)(C)OC)cc1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
HPGD P15428 1/20 0.34
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL27756470 0.90 MAPK14 (0.36) MAPK14HPGDCNR2CNR1ALDH1A1
SCHEMBL765533 0.87 MAPK14 (0.37) MAPK14HPGDCNR2CNR1ALDH1A1
SCHEMBL765758 0.84 CNR2 (0.37) MAPK14CNR2CNR1GPR55MEN1
SCHEMBL754069 0.83 MMP3 (0.41) HPGDCNR2CNR1ALDH1A1GPR55
SCHEMBL2484219 0.82 ALDH1A1 (0.39) HPGDCNR2CNR1ALDH1A1KMT2A
SCHEMBL753007 0.82 MAPK14 (0.35) MAPK14HPGDCNR2CNR1ALDH1A1
SCHEMBL16921577 0.79 NPSR1 (0.36) MAPK14CNR2CNR1GPR55MEN1
SCHEMBL756034 0.78 TP53 (0.39) HPGDCNR2CNR1ALDH1A1GPR55
SCHEMBL754113 0.78 CA12 (0.34) MAPK14HPGDCNR2CNR1ALDH1A1
SCHEMBL754114 0.78 CA12 (0.34) MAPK14HPGDCNR2CNR1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US 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 MAPK14 3701/4885HPGD 2278/4885CNR2 4345/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK14 3586/4885HPGD 2594/4885CNR2 3965/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK14 3586/4885HPGD 2594/4885CNR2 3965/4885

“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.