SCHEMBL782235

SCHEMBL782235

CON1CCC2(CC1)OC(=O)C(c1ccccc1Cl)=C2O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.38
SIGMAR1 Q99720 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HSD11B1 P28845 2/20 0.34
CYP2D6 P10635 1/20 0.34
SSTR5 P35346 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
GSK3B P49841 1/20 0.33
AVPR1A P37288 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
SCHEMBL782250 0.89 SSTR5 (0.34) NPY5RSIGMAR1RAB9ANPC1SSTR5
SCHEMBL782595 0.87 PTGS2 (0.42) NPY5RRAB9ANPC1HSD11B1CYP2D6
SCHEMBL782361 0.86 NPY5R (0.32) NPY5RHSD11B1
SCHEMBL782385 0.86 THRB (0.37) NPY5RSSTR5AVPR1A
SCHEMBL782383 0.85 NPY5R (0.38) NPY5RSIGMAR1HSD11B1SSTR5CYP1A1
SCHEMBL782243 0.85 NPY5R (0.42) NPY5RHSP90AA1HSP90AB1SSTR5STK10
SCHEMBL782257 0.85 AVPR1A (0.39) NPY5RHSP90AA1HSP90AB1AVPR1A
SCHEMBL9286913 0.83 ACACB (0.39) NPY5RHSD11B1CYP2D6
SCHEMBL782388 0.82 AVPR1A (0.34) NPY5RAVPR1A
SCHEMBL782502 0.82 ACACB (0.31)

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 NPY5R 2496/4885SIGMAR1 371/4885HSP90AA1 1584/4885

“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.