SCHEMBL13001998

SCHEMBL13001998

CC/C(=N\OC)c1ccc(-c2ccccc2NC(=O)C2=C(C(F)(F)F)OCCS2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
CHRM3 P20309 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NTRK1 P04629 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL14380469 0.86 ALDH1A1 (0.38) KMT2AMEN1POLBABCG2RAB9A
SCHEMBL3772954 0.85 ABCG2 (0.40) KMT2AMEN1POLBABCG2ALDH1A1
SCHEMBL13001939 0.82 MAPK1 (0.38) KMT2AMEN1POLBABCG2ALDH1A1
SCHEMBL3772956 0.82 MAPK1 (0.38) KMT2AMEN1POLBABCG2ALDH1A1
SCHEMBL13001955 0.81 NTRK1 (0.47) KMT2AABCG2ALDH1A1MAPK1HSD17B10
SCHEMBL13002016 0.80 ALDH1A1 (0.40) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL13001958 0.80 POLB (0.38) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL13001982 0.78 MAPK1 (0.43) KMT2AMEN1POLBRAB9AALDH1A1
SCHEMBL13001957 0.78 MAPK1 (0.37) KMT2APOLBABCG2RAB9AALDH1A1
SCHEMBL13001992 0.78 MAPK1 (0.40) KMT2AMEN1POLBRAB9AALDH1A1

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 KMT2A 1138/4885MEN1 2724/4885POLB 1950/4885

“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.