SCHEMBL753166

SCHEMBL753166

CON=Cc1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.35
CNR2 P34972 2/20 0.35
HTT P42858 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MMP3 P08254 1/20 0.32
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.30
IDO1 P14902 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL16921612 1.00 GPR55 (0.35) GPR55CNR2HTTPOLBALDH1A1
SCHEMBL16921614 0.85 CNR2 (0.35) GPR55CNR2POLBALDH1A1MMP3
SCHEMBL16925321 0.84 FAAH (0.34) GPR55CNR2
SCHEMBL754394 0.84 MAPT (0.36) POLBALDH1A1LMNAHPGD
SCHEMBL16921611 0.84 MAPT (0.36) POLBALDH1A1LMNAHPGD
SCHEMBL753335 0.80 CNR2 (0.38) GPR55CNR2HTTPOLBALDH1A1
SCHEMBL753407 0.80 HTT (0.49) GPR55CNR2HTTPOLBALDH1A1
SCHEMBL18590777 0.80 CYP3A4 (0.36) GPR55CNR2POLBALDH1A1CNR1
SCHEMBL755559 0.80 MMP3 (0.47) GPR55CNR2HTTPOLBALDH1A1
SCHEMBL753088 0.77 POLB (0.38) GPR55CNR2POLBALDH1A1MMP3

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 GPR55 3514/4885CNR2 4345/4885HTT 4561/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GPR55 2647/4885CNR2 3965/4885HTT 4541/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI GPR55 2647/4885CNR2 3965/4885HTT 4541/4885

“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.