SCHEMBL9998463

SCHEMBL9998463

CC/C(=C\c1ccc(F)cc1)COC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TRPA1 O75762 6/20 0.46
ABCB11 O95342 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
POLB P06746 1/20 0.40
MAOB P27338 2/20 0.38
HSD11B1 P28845 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
SCHEMBL9998465 1.00 CYP1A2 (0.53) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9997726 0.88 MAPT (0.50) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9997725 0.88 MAPT (0.50) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9998443 0.86 LMNA (0.40) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9998444 0.86 LMNA (0.40) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9998299 0.84 KMT2A (0.41) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9997806 0.84 KMT2A (0.53) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9997802 0.84 KMT2A (0.53) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9998300 0.84 KMT2A (0.41) CYP1A2LMNAMEN1KMT2AMAPT
SCHEMBL9998242 0.84 CYP2C9 (0.43) CYP1A2LMNAMEN1KMT2AMAPT

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 CYP1A2 19/4885LMNA 3752/4885MEN1 1032/4885

“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.