SCHEMBL9997166

SCHEMBL9997166

CCCCCCC=CC(OC(C)=O)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
PRKCA P17252 1/20 0.47
FAAH O00519 2/20 0.46
TERT O14746 3/20 0.46
BLM P54132 2/20 0.46
HSD17B10 Q99714 2/20 0.46
FABP4 P15090 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL9997164 1.00 KMT2A (0.50) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL9997415 1.00 KMT2A (0.50) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL9997417 1.00 KMT2A (0.50) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL9997803 0.98 MEN1 (0.47) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL9997799 0.98 MEN1 (0.47) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL9998110 0.93 CYP3A4 (0.41) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL9998108 0.93 CYP3A4 (0.41) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL7100990 0.85 TSHR (0.36) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL7100986 0.85 TSHR (0.36) KMT2AMEN1CYP3A4MAPTCYP1A2
SCHEMBL28652969 0.83 MEN1 (0.49) KMT2AMEN1CYP3A4MAPTCYP1A2

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 KMT2A 2324/4885MEN1 1032/4885CYP3A4 36/4885

“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.