SCHEMBL769218

SCHEMBL769218

CON1CCC(OS(C)(=O)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TP53 P04637 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL1928295 0.78 CYP2D6 (0.46) HRH3CYP2D6
SCHEMBL1316275 0.77 TP53 (0.48) HRH3TP53CYP2D6TSHR
SCHEMBL4334769 0.77 CA1 (0.40) HRH3USP2TSHRCA1CA2
SCHEMBL2099337 0.77 — —
SCHEMBL20503412 0.75 KDM4E (0.39) HRH3TP53CYP2D6
SCHEMBL19209509 0.75 HRH3 (0.35) HRH3CYP2D6CA1CA2
SCHEMBL12631136 0.75 HRH3 (0.33) HRH3
SCHEMBL18604421 0.74 — —
SCHEMBL12706336 0.74 TP53 (0.33) TP53
SCHEMBL3270856 0.73 HRH3 (0.38) HRH3

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 10 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
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
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
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
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 HRH3 4447/4885TP53 2386/4885CYP2D6 44/4885

“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.

Send feedback