SCHEMBL754547

SCHEMBL754547

CCN1CC(C(=O)c2oc(C3CCS(=O)(=O)CC3)cc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.38
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CNR2 P34972 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
OPRM1 P35372 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL2777643 0.90 LIPG (0.41) LIPGCNR2GPR55MEN1KMT2A
SCHEMBL753687 0.81 LIPG (0.43) LIPGPDE3BPDE3ACNR2GPR55
SCHEMBL754498 0.80 LIPG (0.38) LIPGPDE3BPDE3ACNR2GPR55
SCHEMBL2777687 0.79 LIPG (0.37) LIPGPDE3BPDE3ACNR2GPR55
SCHEMBL10290072 0.79 MEN1 (0.37) CNR2GPR55MEN1KMT2AKDM4E
SCHEMBL754549 0.77 LIPG (0.35) LIPGPDE3BPDE3ACNR2GPR55
SCHEMBL752993 0.77 LIPG (0.40) LIPGPDE3BPDE3ACNR2GPR55
SCHEMBL10290073 0.73 MEN1 (0.37) CNR2MEN1KMT2AKDM4ENPC1
SCHEMBL2486832 0.73 ALDH1A1 (0.41) LIPG
SCHEMBL754205 0.72 LIPG (0.47) LIPGPDE3BPDE3ACNR2GPR55

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 4 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-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
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 LIPG 4229/4885PDE3B 2465/4885PDE3A 2706/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885PDE3B 2465/4885PDE3A 2706/4885

“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.