SCHEMBL433953

SCHEMBL433953

CCCCc1cc2cc(CS(N)(=O)=O)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.43
TLR8 Q9NR97 2/20 0.43
CA2 P00918 4/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CA5A P35218 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5225410 0.79 CA12 (0.47) TLR8CA2CA1CA9CA5A
SCHEMBL437855 0.78 F2 (0.43) TLR8ALOX15F2F10MAPT
SCHEMBL12117962 0.76 MAPT (0.46) STSTLR8CA2CA1CA9
SCHEMBL284155 0.75 TLR8 (0.50) STSTLR8CA2ALOX15F2
SCHEMBL18067895 0.75 S1PR1 (0.44) TLR8F2F10S1PR1
SCHEMBL436265 0.74 S1PR1 (0.41) TLR8CA2CA9ALOX15F2
Hydrochloric Acid SCHEMBL5395881 0.74 TLR8 (0.52) STSTLR8CA2ALOX15F2
SCHEMBL12370192 0.73 TLR8 (0.44) TLR8CA2CA1CA9CA5A
SCHEMBL457899 0.73 ALOX15 (0.39) STSTLR8ALOX15F2F10
SCHEMBL282809 0.73 NPC1 (0.43) STSALOX15HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US claimed
CN-115521277-A Method for preparing benzofuran compound 山东新时代药业有限公司 2022-12-27 CN disclosed
US-8816103-B2 Process for the preparation of dronedarone SANOFI (FR) 2014-08-26 US disclosed
EP-2595978-A1 NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2013-05-29 EP disclosed
US-20130131358-A1 Novel Process for the Preparation of Dronedarone SANOFI (FR) 2013-05-23 US disclosed
WO-2012010913-A1 NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2012-01-26 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-20130131358-A1 Novel Process for the Preparation of Dronedarone CYP2F1, CYP3A4, CYP2D6 STS 224/4885TLR8 4747/4885CA2 1887/4885

“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.