SCHEMBL9998531

SCHEMBL9998531

CC/C(=C\c1cccc(F)c1)C(OC(C)=O)OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
PTGS1 P23219 5/20 0.47
AKR1C2 P52895 1/20 0.41
PTGS2 P35354 4/20 0.41
FBP1 P09467 1/20 0.40
AKR1C3 P42330 1/20 0.40
GLO1 Q04760 1/20 0.39
NFE2L2 Q16236 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9998532 1.00 MAPT (0.48) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997776 0.89 MAPT (0.46) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997774 0.89 MAPT (0.46) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997905 0.84 LMNA (0.41) MAPTPTGS1PTGS2FBP1GLO1
SCHEMBL9997881 0.84 LMNA (0.41) MAPTPTGS1PTGS2FBP1GLO1
SCHEMBL9998417 0.84 CNR2 (0.42) MAPTPTGS1AKR1C2AKR1C3NFE2L2
SCHEMBL9998418 0.84 CNR2 (0.42) MAPTPTGS1AKR1C2AKR1C3NFE2L2
SCHEMBL9997580 0.84 PTGS1 (0.47) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9997583 0.84 PTGS1 (0.47) MAPTPTGS1AKR1C2PTGS2FBP1
SCHEMBL9998522 0.83 PTGS1 (0.43) MAPTPTGS1AKR1C2PTGS2FBP1

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.