SCHEMBL753282

SCHEMBL753282

CC(C)N1CC(C(=O)c2occc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.37
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX12 P18054 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CCR6 P51684 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
LIPE Q05469 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HSD17B2 P37059 1/20 0.30
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
SCHEMBL2489939 0.87 LIPG (0.49) LIPGHSP90AA1
SCHEMBL752993 0.84 LIPG (0.40) LIPGHSP90AA1KDM4ELMNAMAPT
SCHEMBL753966 0.84 CNR2 (0.37) LIPGHSP90AA1MEN1KMT2ANPSR1
SCHEMBL754479 0.84 CNR2 (0.37) LIPGHSP90AA1NPSR1ALDH1A1CNR2
SCHEMBL752712 0.83 LIPG (0.35) LIPGHSP90AA1MEN1KMT2ANPSR1
SCHEMBL752760 0.81 NPSR1 (0.35) LIPGHSP90AA1MEN1KMT2ANPSR1
SCHEMBL752956 0.81 LIPG (0.39) LIPGHSP90AA1MEN1KMT2ARXFP1
SCHEMBL754854 0.80 HSP90AA1 (0.35) LIPGHSP90AA1MEN1KMT2ARXFP1
SCHEMBL756161 0.80 LIPG (0.41) LIPGHSP90AA1NPSR1KDM4EALDH1A1
SCHEMBL754318 0.80 LIPG (0.36) LIPGHSP90AA1MEN1KMT2ANPSR1

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 LIPG 3541/4885HSP90AA1 3375/4885MEN1 4766/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HSP90AA1 3583/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885HSP90AA1 3583/4885MEN1 4775/4885

“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.