SCHEMBL9998236

SCHEMBL9998236

CC(=O)OC(OC(C)=O)C(=Cc1ccc(C)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PTGS2 P35354 2/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2A6 P11509 1/20 0.34
AKR1C3 P42330 1/20 0.33
STAT3 P40763 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL9998589 0.86 CYP2C9 (0.43) PTGS2AKR1C3KMT2A
SCHEMBL9998420 0.86 KDM4E (0.42) LMNAMAPTPOLBNPC1RAB9A
SCHEMBL9997391 0.86 KMT2A (0.42) LMNAPTGS2MAPTAKR1C3KMT2A
SCHEMBL9997484 0.86 TRPA1 (0.45) LMNAPTGS2MAPTKMT2A
SCHEMBL9997311 0.85 AKR1C3 (0.46) MAPTNPC1RAB9AAKR1C3KMT2A
SCHEMBL9997930 0.83 MAOB (0.38) LMNAMAPTNPC1RAB9AAKR1C3
SCHEMBL9997514 0.83 CYP1A2 (0.41) LMNAMAPTPOLBNPC1RAB9A
SCHEMBL9997605 0.82 LMNA (0.44) LMNAPTGS2MAPTNPC1RAB9A
SCHEMBL9998434 0.81 LMNA (0.41) LMNAPTGS2MAPTPOLBNPC1
SCHEMBL9998433 0.81 LMNA (0.41) LMNAPTGS2MAPTPOLBNPC1

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 3752/4885PTGS2 891/4885MAPT 2206/4885

“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.