SCHEMBL3774642

SCHEMBL3774642

CC1=C(C(=O)Nc2ccccc2C(C)CC(C)C)SCCO1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KMT2A Q03164 8/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 1/20 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
SCHEMBL13295604 0.87 MAPK1 (0.56) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13002017 0.86 MAPK1 (0.41) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13313399 0.86 MAPK1 (0.55) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL3767045 0.85 MAPK1 (0.41) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13304565 0.85 RAB9A (0.51) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13295585 0.84 MAPK1 (0.53) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13057305 0.82 MAPK1 (0.58) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL13057304 0.82 MAPK1 (0.55) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL8521192 0.81 MAPK1 (0.51) MAPK1HSD17B10KMT2ANPC1RAB9A
SCHEMBL3247151 0.81 PKM (0.39) MAPK1NPC1RAB9APOLB

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 5 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
EP-1599460-B1 OXATHIIN CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2007-11-07 EP 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
EP-1599460-A2 OXATHIIN CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004072023-A2 OXATHIIN CARBOXAMIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-26 WO 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.