SCHEMBL782600

SCHEMBL782600

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.40
PTGS2 P35354 2/20 0.39
NPY5R Q15761 2/20 0.36
HSD11B1 P28845 5/20 0.35
CYP2D6 P10635 1/20 0.35
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
AVPR1A P37288 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL782610 0.89 EDNRA (0.39) EDNRAPTGS2NPY5RHSD11B1AVPR1A
SCHEMBL782377 0.88 PTGS2 (0.39) EDNRAPTGS2HSD11B1AVPR1ASMN1; SMN2
SCHEMBL782234 0.88 EDNRA (0.44) EDNRANPY5RKDM4E
SCHEMBL782477 0.88 NPY5R (0.31) NPY5R
SCHEMBL782599 0.88 PTGS2 (0.39) PTGS2NPY5R
SCHEMBL782373 0.87 NPY5R (0.39) NPY5RHSD11B1SMN1; SMN2
SCHEMBL782401 0.87 EDNRA (0.43) EDNRAPTGS2SMN1; SMN2
SCHEMBL9286913 0.87 ACACB (0.39) EDNRAPTGS2NPY5RHSD11B1CYP2D6
SCHEMBL9290061 0.87 ACACB (0.37) EDNRAPTGS2NPY5RHSD11B1CYP2D6
SCHEMBL782414 0.84 ACACB (0.36) EDNRAPTGS2NPY5RHSD11B1CYP2D6

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 6 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
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO 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 EDNRA 2764/4885PTGS2 1260/4885NPY5R 2496/4885

“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.