SCHEMBL25205049

SCHEMBL25205049

CCS(=O)(=O)c1cc(OC(C)(C)C#N)ccc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ PDE2A O00408 2/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL30177607 1.00 DDR1 (0.33) DDR1CNR2PDE2ACYP11B1CYP11B2
SCHEMBL20547579 0.86 CNR2 (0.34) DDR1CNR2
SCHEMBL25669877 0.85 PTGS2 (0.33) —
SCHEMBL25203415 0.85 LRRK2 (0.30) —
SCHEMBL30177546 0.85 LRRK2 (0.30) —
SCHEMBL24314472 0.84 PDE2A (0.33) DDR1PDE2A
SCHEMBL29482595 0.84 PDE2A (0.33) DDR1PDE2A
SCHEMBL25226491 0.84 AR (0.33) PDE2ACYP11B1CYP11B2
SCHEMBL30437197 0.84 AR (0.33) PDE2ACYP11B1CYP11B2
SCHEMBL17466031 0.83 DDR1 (0.37) DDR1CNR2PDE2A

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 3 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 claimed
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 DDR1 4562/4885CNR2 1403/4885PDE2A 409/4885

“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.

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