SCHEMBL5074587

SCHEMBL5074587

FC(F)(F)c1ccc(OCCS)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
NOS1 P29475 4/20 0.49
MAOB P27338 5/20 0.49
NSD2 O96028 1/20 0.48
NSD3 Q9BZ95 1/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AOC3 Q16853 1/20 0.45
CACNA1B Q00975 1/20 0.43

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
SCHEMBL891033 0.82 HDAC3 (0.52) LTA4HALDH1A1
SCHEMBL10458622 0.81 MAOB (0.53) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL1290562 0.79 MAOB (0.57) LTA4HNOS1MAOBALDH1A1AOC3
SCHEMBL2096088 0.79 LTA4H (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL31570783 0.79 LTA4H (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL1044973 0.79 LTA4H (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL12016106 0.79 CYP1A1 (0.60) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL12409185 0.79 CHRNB2 (0.54) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL4332998 0.79 LTA4H (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL28626059 0.79 SMN1; SMN2 (0.56) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 US disclosed
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP disclosed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT LTA4H 3648/4885NOS1 3543/4885MAOB 1413/4885

“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.