SCHEMBL13002016

SCHEMBL13002016

O=C(Nc1ccccc1-c1ccc(Br)cc1)C1=C(C(F)(F)F)OCCS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
NTRK1 P04629 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 2/20 0.36
TACR1 P25103 1/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13001955 0.90 NTRK1 (0.47) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL13002001 0.89 NTRK1 (0.41) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL13002002 0.86 NTRK1 (0.41) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL13002009 0.85 NTRK1 (0.41) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL13001956 0.85 CHRM3 (0.40) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL3764861 0.84 MAPK1 (0.44) MAPTMAPK1HSD17B10POLBLMNA
SCHEMBL3772954 0.84 ABCG2 (0.40) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL14380469 0.83 ALDH1A1 (0.38) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL13001939 0.83 MAPK1 (0.38) ALDH1A1MAPTNTRK1MAPK1HSD17B10
SCHEMBL3772956 0.83 MAPK1 (0.38) ALDH1A1MAPTNTRK1MAPK1HSD17B10

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 ALDH1A1 1804/4885MAPT 3813/4885NTRK1 4501/4885

“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.