SCHEMBL13001995

SCHEMBL13001995

O=C(Nc1ccccc1)C1=C(C(F)(F)F)OCCS1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 5/20 0.42
ADRB2 P07550 1/20 0.42
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
MAOB P27338 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
HDAC4 P56524 1/20 0.38

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
SCHEMBL13001978 0.82 MAPK1 (0.50) MAPK1HSD17B10KMT2AGAAPOLB
SCHEMBL3773062 0.80 MAPK1 (0.45) MAPK1HSD17B10KMT2APOLBRAB9A
Carboxin SCHEMBL8819780 0.79 MAPK1 (1.00) MAPK1HSD17B10KMT2APOLBRAB9A
Carboxin SCHEMBL18392 0.79 MAPK1 (1.00) MAPK1HSD17B10KMT2APOLBRAB9A
SCHEMBL14380625 0.78 KMT2A (0.48) MAPK1HSD17B10KMT2APOLBALDH1A1
SCHEMBL13059392 0.78 KMT2A (0.48) MAPK1HSD17B10KMT2APOLBALDH1A1
SCHEMBL13002016 0.77 ALDH1A1 (0.40) MAPK1HSD17B10KMT2ALMNAPOLB
SCHEMBL3764121 0.76 MAPK1 (0.36) MAPK1HSD17B10
SCHEMBL13058778 0.76 POLB (0.43) MAPK1HSD17B10KMT2APOLBRAB9A
SCHEMBL14380467 0.75 KMT2A (0.45) MAPK1HSD17B10KMT2APOLBALDH1A1

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 2 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-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 MAPK1 3590/4885HSD17B10 3877/4885KMT2A 1138/4885

“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.