SCHEMBL753269

SCHEMBL753269

CC(=O)c1oc(S(C)(=O)=O)cc1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
GPR55 Q9Y2T6 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CNR1 P21554 1/20 0.34
MAOB P27338 4/20 0.34
MAOA P21397 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KMT2A Q03164 1/20 0.33
BRAF P15056 1/20 0.33
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL27588457 0.87 CNR2 (0.37) CNR2GPR55PTGS1PTGS2POLB
SCHEMBL755219 0.80 CNR2 (0.44) CNR2GPR55POLBHCAR2CNR1
SCHEMBL753309 0.79 CNR2 (0.40) CNR2GPR55POLBHCAR2CNR1
SCHEMBL754104 0.77 PDE3B (0.37) CNR2GPR55PTGS1PTGS2NPSR1
SCHEMBL754103 0.77 PDE3B (0.37) CNR2GPR55PTGS1PTGS2NPSR1
SCHEMBL753713 0.77 MEN1 (0.43) CNR2GPR55HCAR2CNR1MAOB
SCHEMBL10290270 0.77 CNR2 (0.39) CNR2GPR55POLBHCAR2CNR1
SCHEMBL2777687 0.74 LIPG (0.37) CNR2GPR55
SCHEMBL753978 0.74 RET (0.45) CNR2GPR55CNR1MAOBMAOA
SCHEMBL755038 0.74 POLB (0.40) CNR2GPR55POLBKMT2A

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 CNR2 3965/4885GPR55 2647/4885PTGS1 2889/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR2 3965/4885GPR55 2647/4885PTGS1 2889/4885

“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.