SCHEMBL753713

SCHEMBL753713

CC(=O)c1oc(C(C)(C)C)cc1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPK14 Q16539 2/20 0.43
CNR2 P34972 3/20 0.39
GPR55 Q9Y2T6 2/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CNR1 P21554 1/20 0.35
MAOB P27338 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL765758 0.87 CNR2 (0.37) MEN1KMT2ANPSR1MAPK14CNR2
SCHEMBL751257 0.82 MTNR1A (0.38) KMT2ANPSR1MAPK14CNR2GPR55
SCHEMBL755219 0.81 CNR2 (0.44) MEN1KMT2ANPSR1CNR2GPR55
SCHEMBL753309 0.80 CNR2 (0.40) CNR2GPR55HCAR2CNR1MAOB
SCHEMBL752076 0.80 CNR2 (0.38) MEN1KMT2ANPSR1MAPK14CNR2
SCHEMBL2485043 0.78 MAPK14 (0.42) MEN1KMT2ANPSR1MAPK14CNR2
SCHEMBL2485045 0.78 MAPK14 (0.42) MEN1KMT2ANPSR1MAPK14CNR2
SCHEMBL10290270 0.78 CNR2 (0.39) KMT2ANPSR1CNR2GPR55HTT
SCHEMBL27606572 0.77 CNR2 (0.38) MEN1KMT2ANPSR1MAPK14CNR2
SCHEMBL753269 0.77 CNR2 (0.38) KMT2ANPSR1CNR2GPR55HCAR2

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 MEN1 4766/4885KMT2A 516/4885NPSR1 4178/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885NPSR1 4131/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885KMT2A 667/4885NPSR1 4131/4885

“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.