SCHEMBL3907217

SCHEMBL3907217

COc1cc2c(cc1S(=O)(=O)F)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
CA7 P43166 2/20 0.42
ABHD6 Q9BV23 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCB1 P08183 1/20 0.41
ATM Q13315 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MTNR1B P49286 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL3907654 0.94 ESR1 (0.61) ESR1ESR2CA7ABHD6CA1
SCHEMBL3897359 0.89 ESR1 (0.54) ESR1ESR2CA7ABHD6CA1
SCHEMBL3899179 0.83 ESR1 (0.60) ESR1ESR2CA7ABHD6CA1
SCHEMBL5329746 0.81 ESR1 (0.56) ESR1ESR2ABHD6MAPK1MEN1
SCHEMBL3895331 0.81 ESR1 (0.52) ESR1ESR2CA7ABHD6CA1
SCHEMBL3897270 0.81 MAOA (0.56) CA7MEN1KMT2APDE4D
SCHEMBL2061259 0.80 ESR1 (0.55) ESR1ESR2CA7ABHD6CA1
SCHEMBL21255989 0.80 ESR1 (0.69) ESR1ESR2ABHD6MAPK1ALDH1A1
SCHEMBL12438368 0.79 ESR1 (0.54) ESR1ESR2ABHD6MAPK1MEN1
SCHEMBL20665187 0.76 HDAC6 (0.54) MAPK1ALDH1A1MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1511727-B1 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 US disclosed
US-20050245507-A1 7-Phenylsulfonyl-tetrahydro-3-benzazepine derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-11-03 US disclosed
US-20050176759-A1 7-sulfonyl-3-benzazepine derivatives as modulators of the dopamine receptor and their use for the treatment cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US disclosed
EP-1511727-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
EP-1509504-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
EP-1456178-A1 7-SULFONYL-3-BENZAZEPINE DERIVATIVES AS MODULATORS OF THE DOPAMINE RECEPTOR AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003099792-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-12-04 WO disclosed
WO-2003099786-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2003-12-04 WO disclosed
WO-2003062205-A1 7-SULFONYL-3-BENZAZEPINE DERIVATIVES AS MODULATORS OF THE DOPAMINE RECEPTOR AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-31 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 (4 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 ESR1 312/4885ESR2 324/4885CA7 386/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 ESR1 45/4885ESR2 54/4885CA7 17/4885
US-20050176759-A1 7-sulfonyl-3-benzazepine derivatives as modulators of the dopamine receptor and their use for the treatment cns disorders MPL, HTR2B, PDGFRB ESR1 2089/4885ESR2 1480/4885CA7 4541/4885
US-20050245507-A1 7-Phenylsulfonyl-tetrahydro-3-benzazepine derivatives as antipsychotic agents HTR3C, SIGMAR1, CHRM1 ESR1 546/4885ESR2 1024/4885CA7 709/4885

“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.