SCHEMBL3768277

SCHEMBL3768277

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2C19 P33261 4/20 0.34
POLB P06746 3/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
NOTUM Q6P988 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3760345 0.83 HDAC4 (0.36) TDP1MAPK1HSD17B10ALDH1A1POLB
SCHEMBL3764121 0.80 MAPK1 (0.36) MAPK1HSD17B10
SCHEMBL3767102 0.78 MAPK1 (0.32) MAPK1HSD17B10
SCHEMBL5183059 0.75 KDM4E (0.31) HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL13001995 0.71 MAPK1 (0.65) MAPK1HSD17B10ALDH1A1POLBPKM
SCHEMBL6143041 0.67 KDM4E (0.31) HSD17B10ALDH1A1HPGDKDM4E
SCHEMBL12189403 0.64 TDP1 (0.46) TDP1MAPK1HSD17B10ALDH1A1CYP1A2
SCHEMBL10424710 0.62 TDP1 (0.53) TDP1MAPK1HSD17B10ALDH1A1CYP1A2
SCHEMBL14498209 0.62 TDP1 (0.53) TDP1MAPK1HSD17B10ALDH1A1CYP1A2
SCHEMBL27605531 0.62 TDP1 (0.43) TDP1MAPK1HSD17B10ALDH1A1CYP1A2

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 TDP1 827/4885MAPK1 3590/4885HSD17B10 3877/4885

“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.