SCHEMBL13058768

SCHEMBL13058768

CCCC(C)c1ccccc1NC(=O)C1=C(C(F)(F)F)OCCS1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 5/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MAPT P10636 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL3767045 0.89 MAPK1 (0.41) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL13058786 0.88 RAB9A (0.40) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL3775160 0.88 MAPK1 (0.40) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL13001994 0.85 KMT2A (0.42) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL13058778 0.80 POLB (0.43) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL13001978 0.80 MAPK1 (0.50) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL3773062 0.78 MAPK1 (0.45) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL3766818 0.77 MAPK1 (0.39) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL14380467 0.77 KMT2A (0.45) MAPK1HSD17B10POLBRAB9AKMT2A
SCHEMBL3765346 0.77 KMT2A (0.45) MAPK1HSD17B10POLBRAB9AKMT2A

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 3877/4885POLB 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.