SCHEMBL21589997

SCHEMBL21589997

CCS(=N)(=O)c1cc(C2CC2)cnc1-c1nc2cc(SC(F)(F)F)ccc2o1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ UTRN P46939 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ HSPD1 P10809 1/20 0.30
▸ HSPE1 P61604 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
SCHEMBL26981436 0.91 UTRN (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30711175 0.91 UTRN (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL26981416 0.87 ALDH1A1 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29900337 0.87 ALDH1A1 (0.33) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25418156 0.85 UTRN (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30970967 0.82 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19302014 0.82 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21589996 0.81 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20734008 0.80 UTRN (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21586220 0.79 HDAC3 (0.31) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4342297-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2024-03-27 — — EP disclosed
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
US-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2023-05-18 — — US disclosed
WO-2019234158-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2019-12-12 — — 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-20230150944-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS AADAC, ACHE, DDT HDAC3 349/4885HDAC1 118/4885HDAC2 177/4885

“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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