SCHEMBL13001978

SCHEMBL13001978

Cc1ccccc1NC(=O)C1=C(C(F)(F)F)OCCS1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.46
KMT2A Q03164 7/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 4/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ANO1 Q5XXA6 2/20 0.41

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
SCHEMBL3773062 0.86 MAPK1 (0.45) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL3771740 0.86 KMT2A (0.49) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL3764861 0.85 MAPK1 (0.44) MAPK1HSD17B10GAAKMT2ANPC1
SCHEMBL13059392 0.84 KMT2A (0.48) MAPK1HSD17B10KMT2ANPC1POLB
SCHEMBL14380625 0.84 KMT2A (0.48) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL11375431 0.83 MAPK1 (0.71) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13001982 0.82 MAPK1 (0.43) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13001975 0.82 MAPK1 (0.41) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13001995 0.82 MAPK1 (0.65) MAPK1HSD17B10GAAKMT2ANPC1
SCHEMBL13001992 0.81 MAPK1 (0.40) MAPK1HSD17B10KMT2ANPC1RAB9A

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 3877/4885GAA 2627/4885

“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.