SCHEMBL13335207

SCHEMBL13335207

CN=S(C)(=O)[C@@H](C)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MINK1 Q8N4C8 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ P2RX7 Q99572 4/20 0.36
▸ CYP2C9 P11712 2/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ SLC22A8 Q8TCC7 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ SLC22A11 Q9NSA0 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ GPR139 Q6DWJ6 1/20 0.34
▸ NR1I2 O75469 1/20 0.33
▸ LGMN Q99538 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33

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
SCHEMBL12349893 1.00 KCNH2 (0.39) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL16116586 0.90 GPR55 (0.32) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL13256205 0.89 GPR55 (0.31) HSD11B1GPR55
SCHEMBL12336886 0.89 GPR55 (0.31) P2RX7HSD11B1GPR55
SCHEMBL12464357 0.88 KCNH2 (0.41) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL17938305 0.87 KCNH2 (0.38) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL28832445 0.86 TRPV4 (0.44) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL12425101 0.86 KCNH2 (0.37) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL20117899 0.85 KCNH2 (0.35) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL17938310 0.85 KCNH2 (0.39) KCNH2MAP4K4PIK3CAMINK1PI4KB

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-20180125074-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2018-05-10 — — US disclosed
US-20100130561-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS BAYER CROPSCIENCE AG (DE) 2010-05-27 — — 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 (2 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-20100130561-A1 CONTROLLING PESTS BY COMBINING INSECTICIDES AND TRANSGENIC PLANTS BY APPLYING DIRECTLY TO LEAVES AND ROOTS AADAC, ATL3, ANTXR2 KCNH2 1409/4885MAP4K4 2292/4885PIK3CA 3362/4885
US-20180125074-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PLA2G4C, PLA2G12B, ACHE KCNH2 1529/4885MAP4K4 4202/4885PIK3CA 1282/4885

“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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