SCHEMBL31476271

SCHEMBL31476271

CC[S@+]([O-])c1cc(C2(C#N)CC2)ccc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PRKCE Q02156 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
SCHEMBL31476225 1.00 POLB (0.36) POLBCYP1A2TRPM8ALDH1A1PRKCE
SCHEMBL31476252 0.87 POLB (0.37) POLBTRPM8
SCHEMBL31476231 0.87 POLB (0.37) POLBTRPM8
SCHEMBL22036969 0.87 POLB (0.37) POLBTRPM8
SCHEMBL22036955 0.84 POLB (0.36) POLB
SCHEMBL21590034 0.84 CYP1A2 (0.39) POLBCYP1A2TRPM8ALDH1A1
SCHEMBL10280728 0.84 POLB (0.43) POLBCYP1A2
SCHEMBL31476295 0.83 CYP1A2 (0.35) CYP1A2ALDH1A1PRKCE
SCHEMBL17529564 0.83 CYP1A2 (0.35) CYP1A2ALDH1A1PRKCE
SCHEMBL31476269 0.83 CYP1A2 (0.35) CYP1A2ALDH1A1PRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250081967-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2025-03-13 — — 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-20250081967-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS DDT, AADAC, SMOX POLB 4001/4885CYP1A2 348/4885TRPM8 4461/4885

“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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