SCHEMBL9998233

SCHEMBL9998233

CC(=O)OC(/C=C/c1ccc(Br)cc1)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2D6 P10635 1/20 0.53
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
S1PR4 O95977 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
SCHEMBL9998235 1.00 MAPT (0.53) MAPTMEN1KMT2ACYP2C19CYP3A4
SCHEMBL9998021 0.84 CYP3A4 (0.51) MAPTMEN1KMT2ACYP2C19CYP3A4
SCHEMBL9998022 0.84 CYP3A4 (0.51) MAPTMEN1KMT2ACYP2C19CYP3A4
SCHEMBL9997848 0.82 HSD11B1 (0.48) MAPTMEN1KMT2ACYP3A4MAOB
SCHEMBL9997845 0.82 HSD11B1 (0.48) MAPTMEN1KMT2ACYP3A4MAOB
SCHEMBL9998308 0.82 CYP1A2 (0.48) MAPTMEN1KMT2ACYP2C19CYP3A4
SCHEMBL9998306 0.82 CYP1A2 (0.48) MAPTMEN1KMT2ACYP2C19CYP3A4
SCHEMBL7097856 0.81 TDP1 (0.52) MAPTKMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL1199677 0.81 TDP1 (0.52) MAPTKMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL9998024 0.81 KDM4E (0.54) MAPTMEN1KMT2ACYP3A4LMNA

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 2206/4885MEN1 1032/4885KMT2A 2324/4885

“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.