SCHEMBL754386

SCHEMBL754386

CC(C)(C)OC(=O)c1cc(Cc2ccc(F)cc2)c(C(=O)O)o1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 3/20 0.36
GPR55 Q9Y2T6 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPK14 Q16539 1/20 0.35
CNR1 P21554 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL751257 0.90 MTNR1A (0.38) PDE3BPDE3ANPSR1CNR2GPR55
SCHEMBL18531663 0.89 MAPK14 (0.44) PDE3BPDE3ANPSR1LMNAHTT
SCHEMBL753008 0.84 NPSR1 (0.35) PDE3BPDE3ANPSR1CNR2GPR55
SCHEMBL753007 0.83 MAPK14 (0.35) NPSR1LMNACNR2GPR55CTSS
SCHEMBL752076 0.78 CNR2 (0.38) NPSR1LMNAHTTCNR2GPR55
SCHEMBL10290766 0.77 CNR2 (0.44) PDE3BPDE3ALMNAHTTCNR2
SCHEMBL753309 0.76 CNR2 (0.40) CNR2GPR55CNR1
SCHEMBL755237 0.74 CNR2 (0.39) NPSR1LMNAHTTCNR2GPR55
SCHEMBL2484216 0.72 CNR2 (0.37) NPSR1LMNAHTTCNR2GPR55
SCHEMBL753713 0.71 MEN1 (0.43) NPSR1HTTCNR2GPR55MAPK14

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
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE3B 2465/4885PDE3A 2706/4885NPSR1 4131/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PDE3B 2465/4885PDE3A 2706/4885NPSR1 4131/4885

“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.