SCHEMBL782253

SCHEMBL782253

CON1CCC2(CC1)OC(=O)C(c1cc(F)ccc1F)=C2O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
AVPR1A P37288 1/20 0.35
HSD11B1 P28845 4/20 0.34
NPY5R Q15761 3/20 0.33
SLC6A4 P31645 4/20 0.33
KIF11 P52732 2/20 0.33
CHRM3 P20309 2/20 0.32
CNR1 P21554 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL782383 0.87 NPY5R (0.38) AVPR1AHSD11B1NPY5RCHRM3
SCHEMBL782599 0.83 PTGS2 (0.39) THRBNPY5R
SCHEMBL782243 0.80 NPY5R (0.42) AVPR1ANPY5RCHRM3
SCHEMBL782595 0.80 PTGS2 (0.42) AVPR1AHSD11B1NPY5RCHRM3NPC1
SCHEMBL769642 0.79 AVPR1A (0.32) THRBAVPR1ANPY5R
SCHEMBL782490 0.79 AVPR1A (0.35) THRBAVPR1AHSD11B1NPY5R
SCHEMBL782228 0.78 POLB (0.36) THRBAVPR1AHSD11B1NPY5RRAB9A
SCHEMBL768905 0.78 POLB (0.39) AVPR1AHSD11B1NPY5R
SCHEMBL782235 0.78 NPY5R (0.38) AVPR1AHSD11B1NPY5RNPC1RAB9A
SCHEMBL782469 0.77 ACACB (0.32)

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 THRB 436/4885AVPR1A 1446/4885HSD11B1 366/4885

“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.