SCHEMBL9997803

SCHEMBL9997803

CCCCCC=CC(OC(C)=O)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
PRKCA P17252 1/20 0.44
FAAH O00519 1/20 0.43
TERT O14746 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL9997799 1.00 MEN1 (0.47) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL9997164 0.98 KMT2A (0.50) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL9997417 0.98 KMT2A (0.50) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL9997415 0.98 KMT2A (0.50) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL9997166 0.98 KMT2A (0.50) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL9998108 0.94 CYP3A4 (0.41) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL9998110 0.94 CYP3A4 (0.41) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL7100990 0.86 TSHR (0.36) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL7100986 0.86 TSHR (0.36) MEN1CYP3A4KMT2ACYP1A2MAPT
SCHEMBL7027317 0.84 ASAH2 (0.48) MEN1CYP3A4KMT2ACYP1A2MAPT

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 MEN1 1032/4885CYP3A4 36/4885KMT2A 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.