SCHEMBL13001925

SCHEMBL13001925

CCCCCC(C)(O)c1ccccc1NC(=O)C1=C(C(F)(F)F)OCCS1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3766818 0.85 MAPK1 (0.39) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL13058778 0.81 POLB (0.43) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL13001928 0.78 POLB (0.41) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL13058786 0.74 RAB9A (0.40) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL13001929 0.74 POLB (0.44) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL13059392 0.74 KMT2A (0.48) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL3767045 0.73 MAPK1 (0.41) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL13001995 0.72 MAPK1 (0.65) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL13001958 0.71 POLB (0.38) POLBKMT2AMAPK1HSD17B10NPC1
SCHEMBL14380467 0.71 KMT2A (0.45) POLBKMT2AMAPK1HSD17B10NPC1

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-7847108-B2 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER CROPSCIENCE AG (DE) 2010-12-07 US disclosed
US-7847108-B2 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER CROPSCIENCE AG (DE) 2010-12-07 US disclosed
US-20070004793-A1 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 US disclosed
US-20070004793-A1 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 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-20070004793-A1 such as N-[2-(4-bromophenyl)phenyl]-6-trifluoromethyl-2,3-dihydro-1,4-oxathiine-5-carboxamide, used for controlling unwanted microorganisms, for example, bacteria, fungi, yeasts, algae and slime organisms Q6ZSR9, PFAS, NIT2 POLB 1950/4885KMT2A 1138/4885MAPK1 3590/4885

“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.