SCHEMBL12722467

SCHEMBL12722467

Cc1ccc(S(=O)(=O)OCCOc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.64
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
MAOB P27338 2/20 0.57
ALDH1A1 P00352 7/20 0.57
HPGD P15428 6/20 0.57
USP2 O75604 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 4/20 0.54
NPC1 O15118 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL13741771 0.83 ALDH1A1 (0.46) CA9CA12CA1MAOBALDH1A1
SCHEMBL14997050 0.82 ALDH1A1 (0.45) CA9CA12CA1MAOBALDH1A1
SCHEMBL12722470 0.79 MAOB (0.71) CA9CA12CA1MAOBALDH1A1
SCHEMBL28722650 0.79 MAOB (0.71) CA9CA12CA1MAOBALDH1A1
SCHEMBL12886696 0.79 ALDH1A1 (0.77) CA9CA12CA1MAOBALDH1A1
SCHEMBL8834992 0.79 MAOB (0.67) CA9CA12MAOBALDH1A1HPGD
SCHEMBL8515482 0.79 CA12 (1.00) CA9CA12CA1MAOBKMT2A
SCHEMBL28720757 0.77 MAOB (0.68) CA9MAOBALDH1A1HPGDUSP2
SCHEMBL12722468 0.77 MAOB (0.71) CA9CA12CA1MAOBALDH1A1
SCHEMBL12722471 0.77 MAOB (0.71) CA9CA12CA1MAOBALDH1A1

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-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-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 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
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US 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 (2 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 CA9 4289/4885CA12 3362/4885CA1 320/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO CA9 4303/4885CA12 3322/4885CA1 323/4885

“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.