SCHEMBL2461728

SCHEMBL2461728

Cc1ccc(S(=O)(=O)Oc2ccsc2I)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 2/20 0.35
ESR1 P03372 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR2 Q92731 2/20 0.35
LMNA P02545 1/20 0.34
TRPA1 O75762 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B2 P37059 1/20 0.31
HSD11B1 P28845 1/20 0.30
HSD17B3 P37058 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
FABP4 P15090 2/20 0.30

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
SCHEMBL2461723 0.81 LMNA (0.34) CA2CA1CA9LMNATRPA1
SCHEMBL1919474 0.78 KMT2A (0.44) CA2CA1CA9MEN1ESR1
SCHEMBL20746493 0.71 TRPA1 (0.45) CA2CA1CA9MEN1KMT2A
SCHEMBL31306394 0.67 TRPA1 (0.48) CA2CA1CA9MEN1GAA
SCHEMBL11047492 0.67 TRPA1 (0.52) CA2CA1CA9MEN1GAA
SCHEMBL9796162 0.65 TRPA1 (0.50) CA2CA1CA9MEN1KMT2A
SCHEMBL3632070 0.65 TRPA1 (0.50) CA2CA1CA9MEN1GAA
SCHEMBL6851691 0.65 TRPA1 (0.50) CA2CA1CA9MEN1GAA
SCHEMBL942110 0.65 TRPA1 (0.50) CA2CA1CA9MEN1GAA
Water SCHEMBL11269395 0.64 TRPA1 (0.48) CA2CA1CA9MEN1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365974-B1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB FOUNDATION (KR) 2013-12-25 EP claimed
US-20110250136-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB FOUNDATION (KR) 2011-10-13 US claimed
EP-2365974-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB Foundation (KR) 2011-09-21 EP claimed
WO-2010053218-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB FOUNDATION (KR) 2010-05-14 WO claimed
EP-2365974-B1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB FOUNDATION (KR) 2013-12-25 EP disclosed
US-20110250136-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB FOUNDATION (KR) 2011-10-13 US disclosed
EP-2365974-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB Foundation (KR) 2011-09-21 EP disclosed
WO-2010053218-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME SNU R&DB FOUNDATION (KR) 2010-05-14 WO 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-20110250136-A1 FLUORINATED BENZOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND IMAGING AGENT FOR DIAGNOSING ALTZHEIMER'S DISEASE USING THE SAME APBA1, APP, PSEN1 CA2 1672/4885CA1 1010/4885CA9 2332/4885

“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.