SCHEMBL600568

SCHEMBL600568

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.35
PTGS1 P23219 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AMY1A P0DUB6 1/20 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
SCHEMBL599958 0.99 PTGS2 (0.35) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL478439 0.93 TAAR1 (0.36) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL29488092 0.93 TAAR1 (0.36) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL516227 0.93 TAAR1 (0.36) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL29790344 0.93 TAAR1 (0.36) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL1648239 0.91 GAA (0.36) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL18044479 0.90 PTGS2 (0.40) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL28404512 0.90 PTGS2 (0.40) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL27206706 0.90 PTGS2 (0.40) PTGS2PTGS1TAAR1GAAHSD17B10
SCHEMBL17022397 0.90 PTGS2 (0.40) PTGS2PTGS1TAAR1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed
EP-2247558-B1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2022-02-02 EP disclosed
US-20170160287-A1 USE OF 7-CHLORO-N,N,5-TRIMETHYL-4-OXO-3-PHENYL-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-B] INDOLE-1-ACETAMIDE AS A BIOMARKER OF PERIPHERAL BENZODIAZEPINE RECEPTOR LEVELS SANOFI (FR) 2017-06-08 US disclosed
EP-2852572-A1 CARBOLINE AND CARBAZOLE BASED IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION Eli Lilly and Company (US) 2015-04-01 EP disclosed
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 US disclosed
EP-2349352-B1 Use of 7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihydro-4H-pyridazino[4,5-b]indole-1-acetamide as a biomarker of peripheral benzodiazepine receptor levels SANOFI SA (FR) 2013-12-25 EP disclosed
WO-2013176698-A1 CARBOLINE AND CARBAZOLE BASED IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION ELI LILLY AND COMPANY (US) 2013-11-28 WO disclosed
EP-2599763-A1 Novel imaging agents for detecting neurological dysfunction Siemens Molecular Imaging, Inc. (US) 2013-06-05 EP disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-20120039816-A1 USE OF 7-CHLORO-N,N,5-TRIMETHYL-4-OXO-3-PHENYL-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-B] INDOLE-1-ACETAMIDE AS A BIOMARKER OF PERIPHERAL BENZODIAZEPINE RECEPTOR LEVELS SANOFI-AVENTIS (FR) 2012-02-16 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US disclosed
EP-2247558-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION Siemens Medical Solutions USA, Inc. (US) 2010-11-10 EP disclosed
WO-2009102498-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2009-08-20 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 (3 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-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION FABP7, TSPO, SLC18A3 PTGS2 4331/4885PTGS1 4001/4885TAAR1 1605/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO PTGS2 4341/4885PTGS1 4034/4885TAAR1 1599/4885
US-20150030540-A1 Imaging agents for detecting neurological dysfunction SLC18A3, TSPO, CHAT PTGS2 4262/4885PTGS1 3846/4885TAAR1 372/4885

“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.