SCHEMBL25669877

SCHEMBL25669877

CCS(=O)(=O)c1cc(OC(C)(C)C#N)c(C)cc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL25669934 0.86 CNR2 (0.30) —
SCHEMBL25205049 0.85 DDR1 (0.33) —
SCHEMBL30177607 0.85 DDR1 (0.33) —
SCHEMBL30177546 0.81 LRRK2 (0.30) LRRK2
SCHEMBL25203415 0.81 LRRK2 (0.30) LRRK2
SCHEMBL29814194 0.80 PARG (0.35) —
SCHEMBL20633507 0.80 PARG (0.35) —
SCHEMBL29482595 0.79 PDE2A (0.33) —
SCHEMBL24314472 0.79 PDE2A (0.33) —
SCHEMBL17466031 0.78 DDR1 (0.37) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-06-01 — — US disclosed
US-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-06-01 — — 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-20230167122-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, AADAC, ACAA2 PTGS2 1498/4885LRRK2 797/4885CA12 2090/4885

“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