SCHEMBL9997459

SCHEMBL9997459

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
RELA Q04206 1/20 0.45
FBP1 P09467 1/20 0.45
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
NPC1 O15118 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL9997461 1.00 LMNA (0.49) LMNAPTGS1PTGS2ALOX5MAOA
SCHEMBL9997761 0.83 CYP1A2 (0.54) LMNAMAOAMAOBRELAFBP1
SCHEMBL9998209 0.83 HSD17B3 (0.54) MAOAMAOBRELANPC1RAB9A
SCHEMBL9997721 0.83 NFE2L2 (0.52) PTGS1PTGS2MAOAMAOBRELA
SCHEMBL9998207 0.83 HSD17B3 (0.54) MAOAMAOBRELANPC1RAB9A
SCHEMBL9997717 0.83 NFE2L2 (0.52) PTGS1PTGS2MAOAMAOBRELA
SCHEMBL9997759 0.83 CYP1A2 (0.54) LMNAMAOAMAOBRELAFBP1
SCHEMBL18746281 0.81 LMNA (0.41) LMNAPTGS1PTGS2ALOX5MAOA
SCHEMBL9997284 0.81 CYP3A4 (0.42) LMNAALOX5TDP1TP53KDM4E
SCHEMBL7097856 0.81 TDP1 (0.52) LMNAMAOBTDP1KMT2AMAPT

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 LMNA 3752/4885PTGS1 683/4885PTGS2 891/4885

“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.