SCHEMBL753966

SCHEMBL753966

Cc1cc(Cc2ccc(F)cc2)c(C(=O)C2=C(O)C(=O)N(C(C)C)C2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
LIPG Q9Y5X9 5/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FPR1 P21462 1/20 0.33
CNR1 P21554 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
CCR6 P51684 1/20 0.31
KMT2A Q03164 1/20 0.31
HKDC1 Q2TB90 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
SCHEMBL754479 0.90 CNR2 (0.37) CNR2GPR55LIPGPDE3BPDE3A
SCHEMBL754205 0.88 LIPG (0.47) CNR2GPR55LIPGPDE3BPDE3A
SCHEMBL752760 0.87 NPSR1 (0.35) CNR2GPR55LIPGHSP90AA1FPR1
SCHEMBL753282 0.84 LIPG (0.37) CNR2GPR55LIPGPDE3BPDE3A
SCHEMBL752004 0.80 ALDH1A1 (0.40) CNR2GPR55LIPGRXFP1NPSR1
SCHEMBL754318 0.78 LIPG (0.36) CNR2GPR55LIPGHSP90AA1NPSR1
SCHEMBL753520 0.78 LIPG (0.38) CNR2GPR55LIPGPDE3BPDE3A
SCHEMBL2779143 0.78 NPSR1 (0.39) LIPGRXFP1NPSR1MAPTKDM4E
SCHEMBL752847 0.78 LIPG (0.35) LIPGHSP90AA1RXFP1NPSR1MAPT
SCHEMBL752757 0.77 NPSR1 (0.35) CNR2GPR55LIPGRXFP1CNR1

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 CNR2 4345/4885GPR55 3514/4885LIPG 3541/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885LIPG 4229/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885LIPG 4229/4885

“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.