SCHEMBL13002001

SCHEMBL13002001

O=C(Nc1ccccc1-c1ccc(Br)c(F)c1)C1=C(C(F)(F)F)OCCS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
KIF11 P52732 1/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 5/20 0.35
NPC1 O15118 3/20 0.35
CHRM3 P20309 2/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 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
SCHEMBL13002002 0.89 NTRK1 (0.41) NTRK1KIF11MAPTTP53ALDH1A1
SCHEMBL13002016 0.89 ALDH1A1 (0.40) NTRK1MAPTTP53ALDH1A1MAPK1
SCHEMBL13002009 0.89 NTRK1 (0.41) NTRK1MAPTTP53ALDH1A1MAPK1
SCHEMBL13001988 0.86 CHRM3 (0.43) NTRK1MAPTTP53ALDH1A1MAPK1
SCHEMBL13001982 0.86 MAPK1 (0.43) NTRK1MAPTTP53ALDH1A1MAPK1
SCHEMBL13001956 0.84 CHRM3 (0.40) NTRK1MAPTTP53ALDH1A1MAPK1
SCHEMBL13001955 0.84 NTRK1 (0.47) NTRK1MAPTTP53ALDH1A1MAPK1
SCHEMBL13058681 0.83 MAPT (0.43) NTRK1MAPTTP53ALDH1A1MAPK1
SCHEMBL3764861 0.82 MAPK1 (0.44) MAPTMAPK1HSD17B10KMT2ANPC1
SCHEMBL13001992 0.82 MAPK1 (0.40) NTRK1MAPTTP53ALDH1A1MAPK1

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
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
EP-1599460-B1 OXATHIIN CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2007-11-07 EP 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 NTRK1 4501/4885KIF11 3385/4885MAPT 3813/4885

“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.