SCHEMBL3905464

SCHEMBL3905464

COc1cc2c(cc1S(=O)(=O)c1ccc(OCc3cccc(C(F)(F)F)c3)cc1)CN(C)C2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
NR4A2 P43354 2/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP13 P45452 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MMP1 P03956 1/20 0.44
ADAM17 P78536 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PDGFRA P16234 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41

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
Hydrochloric Acid SCHEMBL3900182 0.99 MAOB (0.47) MAOBNR4A2ADAMTS4MMP13ADAMTS5
SCHEMBL3892441 0.74 MAOB (0.43) MAOBMAPTHTTL3MBTL1POLB
SCHEMBL6140398 0.74 KMT2A (0.48) MAOBNR4A2ADAMTS4MMP13MMP1
SCHEMBL4887148 0.73 KMT2A (0.43) MAOBMMP1ADAM17MAPT
SCHEMBL3895504 0.72 MAOB (0.42) MAOBNR4A2ADAMTS4MMP13MMP1
SCHEMBL13901032 0.72 MAPT (0.44) MAOBMMP1ADAM17MAPT
SCHEMBL4889865 0.72 DRD2 (0.50) MAOBMAPTPOLB
Sb-773812 SCHEMBL29377490 0.72 DRD2 (0.50) MAOBMAPTPOLB
Sb-773812 SCHEMBL3896727 0.72 DRD2 (0.50) MAOBMAPTPOLB
Hydrochloric Acid SCHEMBL3903185 0.72 MAOB (0.42) MAOBNR4A2ADAMTS4MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US claimed
EP-1511727-B1 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LTD (GB) 2007-02-21 EP claimed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 US claimed
US-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
US-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
US-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US disclosed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 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 (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-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia SIGMAR1, CBR3, CBR1 MAOB 291/4885NR4A2 402/4885ADAMTS4 4871/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 MAOB 2012/4885NR4A2 514/4885ADAMTS4 4773/4885

“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.