SCHEMBL25517850

SCHEMBL25517850

CCS(=N)(=O)c1cc(C2(C#N)CC2)cnc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ S1PR1 P21453 2/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ TRPM8 Q7Z2W7 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL21586201 0.87 POLB (0.38) TRPM8
SCHEMBL30122167 0.87 S1PR1 (0.33) S1PR1
SCHEMBL30122145 0.87 POLB (0.38) TRPM8
SCHEMBL24695537 0.87 S1PR1 (0.33) S1PR1
SCHEMBL30401655 0.87 POLB (0.38) TRPM8
SCHEMBL24696189 0.87 POLB (0.38) TRPM8
SCHEMBL30122216 0.87 S1PR1 (0.33) S1PR1
SCHEMBL25517849 0.86 AGPAT2 (0.38) AGPAT2PDE2AS1PR1GRM2KDM4E
SCHEMBL23120278 0.82 LMNA (0.38) SMN1; SMN2LMNAHTT
SCHEMBL29748745 0.82 LMNA (0.38) SMN1; SMN2LMNAHTT

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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — US disclosed
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — 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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS AADAC, ACHE, DDT AGPAT2 594/4885PDE2A 1040/4885S1PR1 1361/4885

“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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