SCHEMBL20130672

SCHEMBL20130672

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 7/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MINK1 Q8N4C8 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ LGMN Q99538 1/20 0.32
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ TRPV3 Q8NET8 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ SLC22A6 Q4U2R8 1/20 0.31
▸ SLC22A8 Q8TCC7 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ SLC22A11 Q9NSA0 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL20117900 1.00 P2RX7 (0.35) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL12425101 0.82 KCNH2 (0.37) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL12464357 0.81 KCNH2 (0.41) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL12349893 0.81 KCNH2 (0.39) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL13335207 0.81 KCNH2 (0.39) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL17938305 0.80 KCNH2 (0.38) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL28832445 0.79 TRPV4 (0.44) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL20117899 0.79 KCNH2 (0.35) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL10123500 0.78 TRPV4 (0.41) P2RX7KCNH2MAP4K4PIK3CAMINK1
SCHEMBL16622003 0.78 KCNH2 (0.36) P2RX7KCNH2MAP4K4PIK3CAMINK1

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-20180125074-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2018-05-10 — — 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-20180125074-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PLA2G4C, PLA2G12B, ACHE P2RX7 2252/4885KCNH2 1529/4885MAP4K4 4202/4885

“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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