SCHEMBL752970

SCHEMBL752970

CC(C)N1CC(C(=O)c2ncoc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.37
LIPG Q9Y5X9 3/20 0.36
CYP2C9 P11712 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
MAPK14 Q16539 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2778238 0.88 LIPG (0.47) PTGIRLIPG
SCHEMBL752757 0.83 NPSR1 (0.35) LIPGNPSR1ALDH1A1
SCHEMBL752712 0.82 LIPG (0.35) LIPGNPSR1ALDH1A1
SCHEMBL2779143 0.80 NPSR1 (0.39) LIPGNPSR1ALDH1A1
SCHEMBL752870 0.79 LIPG (0.35) LIPGNPSR1
SCHEMBL752989 0.79 SMN1; SMN2 (0.42) LIPGNPSR1ALDH1A1
SCHEMBL754318 0.78 LIPG (0.36) LIPGNPSR1ALDH1A1
SCHEMBL752004 0.78 ALDH1A1 (0.40) LIPGCYP2C9NPSR1ALDH1A1
SCHEMBL752754 0.78 NPSR1 (0.35) LIPGNPSR1
SCHEMBL16908924 0.78 NPSR1 (0.35) LIPGNPSR1ALDH1A1

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 10 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
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 PTGIR 3390/4885LIPG 3541/4885CYP2C9 1323/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGIR 2797/4885LIPG 4229/4885CYP2C9 995/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGIR 2797/4885LIPG 4229/4885CYP2C9 995/4885

“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.