SCHEMBL13002008

SCHEMBL13002008

O=C(Nc1ccccc1-c1ccc(Cl)cc1Cl)C1=C(C(F)(F)F)OCCS1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
NPY1R P25929 1/20 0.36
HTT P42858 1/20 0.36
TMPRSS4 Q9NRS4 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL13001913 0.91 TMPRSS4 (0.40) CHRM3KDM4EMAPTHPGDHSD17B10
SCHEMBL13001975 0.90 MAPK1 (0.41) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13768520 0.85 MAPK1 (0.56) CHRM3KDM4EMAPTALDH1A1HPGD
SCHEMBL13001988 0.84 CHRM3 (0.43) CHRM3MAPTALDH1A1HSD17B10MAPK1
SCHEMBL13001956 0.84 CHRM3 (0.40) CHRM3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL13058681 0.82 MAPT (0.43) CHRM3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL13002009 0.82 NTRK1 (0.41) CHRM3KDM4EMAPTALDH1A1HSD17B10
SCHEMBL13001992 0.82 MAPK1 (0.40) CHRM3MAPTALDH1A1HSD17B10MAPK1
SCHEMBL13001955 0.79 NTRK1 (0.47) CHRM3MAPTALDH1A1HPGDHSD17B10
SCHEMBL13001982 0.78 MAPK1 (0.43) CHRM3MAPTALDH1A1HSD17B10MAPK1

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 CHRM3 1127/4885KDM4E 3206/4885MAPT 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.