SCHEMBL2163149

SCHEMBL2163149

Cc1ccc(S(=O)(=O)OC2CN(c3ccn4c(n3)nc3ccccc34)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
ALDH3A1 P30838 2/20 0.40
NOD1 Q9Y239 3/20 0.38
CYP2D6 P10635 2/20 0.38
GAA P10253 2/20 0.38
CXCL8 P10145 1/20 0.38
NOD2 Q9HC29 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL17274059 0.79 HSD11B1 (0.42) HSD11B1ALDH3A1NOD1CYP2D6GAA
SCHEMBL22633460 0.78 HSD11B1 (0.41) HSD11B1ALDH3A1NOD1CYP2D6GAA
SCHEMBL22633446 0.78 HSD11B1 (0.41) HSD11B1ALDH3A1NOD1CYP2D6GAA
SCHEMBL2163839 0.74 MAPK8 (0.36) HSD11B1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL18053572 0.73 POLB (0.43) GAAHTTALDH1A1NPSR1KDM4E
SCHEMBL2162698 0.73 CYP24A1 (0.40) HSD11B1ALDH3A1NOD1GAACXCL8
SCHEMBL23048328 0.72 SMPD3 (0.41) GAAALDH1A1HPGDHSD17B10NPSR1
SCHEMBL12324150 0.72 POLB (0.40) GAAALDH1A1HPGDHSD17B10NPSR1
SCHEMBL2162691 0.72 ALDH1A1 (0.40) GAAALDH1A1HPGDHSD17B10NPSR1
SCHEMBL25801350 0.72 SMPD3 (0.41) GAAALDH1A1HPGDHSD17B10NPSR1

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-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 HSD11B1 3592/4885ALDH3A1 4303/4885NOD1 2437/4885

“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.