SCHEMBL752760

SCHEMBL752760

CC(C)N1CC(C(=O)c2oc(C(C)(C)C)cc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
CNR2 P34972 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK14 Q16539 1/20 0.32
HTT P42858 1/20 0.31
FPR1 P21462 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
SCHEMBL754111 0.88 LIPG (0.45) NPSR1MEN1KMT2ALIPGCNR2
SCHEMBL754479 0.87 CNR2 (0.37) NPSR1LIPGCNR2GPR55HSP90AA1
SCHEMBL753966 0.87 CNR2 (0.37) NPSR1MEN1KMT2ALIPGCNR2
SCHEMBL754498 0.86 LIPG (0.38) NPSR1MEN1KMT2ALIPGCNR2
SCHEMBL764278 0.84 NPSR1 (0.39) NPSR1MEN1KMT2ALIPGCNR2
SCHEMBL753282 0.81 LIPG (0.37) NPSR1MEN1KMT2ALIPGCNR2
SCHEMBL754083 0.79 LIPG (0.45) LIPGCNR2GPR55HSP90AA1
SCHEMBL752004 0.78 ALDH1A1 (0.40) NPSR1MEN1KMT2ALIPGCNR2
SCHEMBL754549 0.77 LIPG (0.35) MEN1KMT2ALIPGCNR2GPR55
SCHEMBL754318 0.76 LIPG (0.36) NPSR1MEN1KMT2ALIPGCNR2

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

“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.