SCHEMBL9998367

SCHEMBL9998367

CCC(=Cc1cccc(F)c1)COC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
PTGS1 P23219 5/20 0.47
AKR1C2 P52895 1/20 0.41
PTGS2 P35354 4/20 0.41
FBP1 P09467 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
AKR1C3 P42330 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLO1 Q04760 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL9998364 1.00 MAPT (0.51) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997611 0.89 MAPT (0.49) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997613 0.89 MAPT (0.49) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997395 0.84 LMNA (0.41) MAPTPTGS1PTGS2MEN1KMT2A
SCHEMBL9997393 0.84 LMNA (0.41) MAPTPTGS1PTGS2MEN1KMT2A
SCHEMBL9997773 0.84 MAPT (0.44) MAPTPTGS1AKR1C2MEN1KMT2A
SCHEMBL9997771 0.84 MAPT (0.44) MAPTPTGS1AKR1C2MEN1KMT2A
SCHEMBL9997526 0.84 MAPT (0.51) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997519 0.84 MAPT (0.51) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997501 0.83 PTGS2 (0.44) MAPTPTGS2FBP1MEN1KMT2A

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 MAPT 2206/4885PTGS1 683/4885AKR1C2 392/4885

“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.