SCHEMBL9997452

SCHEMBL9997452

CC(=O)OCC=Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOB P27338 3/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GSR P00390 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
NOS2 P35228 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.43
NFE2L2 Q16236 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL9997449 1.00 MEN1 (0.46) MEN1KMT2AMAOBHDAC1HDAC8
SCHEMBL28759964 0.85 MEN1 (0.45) MEN1KMT2AMAOBHDAC1HDAC8
SCHEMBL11881099 0.83 MEN1 (0.46) MEN1KMT2AMAOBHDAC1HDAC8
SCHEMBL9998185 0.82 SMN1; SMN2 (0.43) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9998182 0.82 SMN1; SMN2 (0.43) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1039973 0.82 MAPT (0.54) MAOBLMNAATMNFE2L2TDP1
SCHEMBL9998642 0.81 ALDH1A1 (0.40) MEN1KMT2ALMNANFE2L2MAPT
SCHEMBL9998651 0.81 NFE2L2 (0.47) MAOBSMN1; SMN2L3MBTL1NFE2L2MAPT
SCHEMBL9998652 0.81 NFE2L2 (0.47) MAOBSMN1; SMN2L3MBTL1NFE2L2MAPT
SCHEMBL9997271 0.81 HSD11B1 (0.50) MEN1KMT2ALMNAL3MBTL1ATM

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-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 MEN1 1032/4885KMT2A 2324/4885MAOB 934/4885

“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.