SCHEMBL9998284

SCHEMBL9998284

CC(=O)OCC(=Cc1cccc(F)c1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
PTGS1 P23219 3/20 0.43
FBP1 P09467 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.39
PTGS2 P35354 2/20 0.39
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
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL9997664 0.84 LMNA (0.44) MAPTPTGS1FBP1MEN1KMT2A
SCHEMBL9997519 0.84 MAPT (0.51) MAPTPTGS1FBP1AKR1C3AKR1C2
SCHEMBL9997526 0.84 MAPT (0.51) MAPTPTGS1FBP1AKR1C3AKR1C2
SCHEMBL9998455 0.83 PKM (0.45) MAPTAKR1C3AKR1C2MEN1KMT2A
SCHEMBL9997762 0.83 PPARG (0.37) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9998221 0.83 FBP1 (0.44) MAPTFBP1AKR1C3MEN1KMT2A
SCHEMBL9998344 0.82 LMNA (0.49) MAPTFBP1AKR1C3AKR1C2MEN1
SCHEMBL9998219 0.82 HDAC4 (0.39) MAPTMEN1KMT2AALDH1A1PTGS2
SCHEMBL9998202 0.82 MEN1 (0.47) MAPTFBP1AKR1C3MEN1KMT2A
SCHEMBL9997678 0.81 ACHE (0.38) MEN1KMT2AGLO1NR1H4

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 683/4885FBP1 181/4885

“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.