SCHEMBL782599

SCHEMBL782599

CON1CCC2(CC1)OC(=O)C(c1ccc(F)cc1)=C2O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
DRD2 P14416 5/20 0.38
SIGMAR1 Q99720 5/20 0.38
PTGS1 P23219 6/20 0.38
NPY5R Q15761 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
NR3C1 P04150 1/20 0.33
THRB P10828 1/20 0.33
OTUD7B Q6GQQ9 2/20 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
SCHEMBL782610 0.89 EDNRA (0.39) PTGS2PTGS1NPY5R
SCHEMBL782600 0.88 EDNRA (0.40) PTGS2NPY5R
SCHEMBL782377 0.88 PTGS2 (0.39) PTGS2
SCHEMBL782234 0.88 EDNRA (0.44) DRD2SIGMAR1PTGS1NPY5R
SCHEMBL782253 0.83 THRB (0.35) NPY5RTHRB
SCHEMBL782249 0.82 CYP19A1 (0.45) THRB
SCHEMBL782401 0.82 EDNRA (0.43) PTGS2PTGS1
SCHEMBL782383 0.81 NPY5R (0.38) SIGMAR1NPY5R
SCHEMBL782477 0.80 NPY5R (0.31) NPY5R
SCHEMBL782373 0.80 NPY5R (0.39) DRD2SIGMAR1NPY5RPGR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US 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 (1 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-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 PTGS2 1260/4885DRD2 625/4885SIGMAR1 371/4885

“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.