SCHEMBL3902007

SCHEMBL3902007

COc1cc2c(cc1S(=O)(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.43
MAPT P10636 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ABCB1 P08183 3/20 0.42
ABCC1 P33527 1/20 0.42
GPR183 P32249 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL3910405 0.87 ESR2 (0.49) ESR2SMN1; SMN2NR1H2MAPTCA1
SCHEMBL3900360 0.83 ESR2 (0.47) ESR2SMN1; SMN2NR1H2MAPTCA1
SCHEMBL3900136 0.83 KMT2A (0.54) ESR2NR1H2CA1CA2CA7
SCHEMBL4887148 0.78 KMT2A (0.43) ESR2SMN1; SMN2NR1H2MAPTNPC1
SCHEMBL3901830 0.77 HTR6 (0.38)
SCHEMBL8793366 0.77 ESR2 (0.54) ESR2NR1H2MAPTNPC1KMT2A
SCHEMBL3902011 0.76 ESR2 (0.44) ESR2NR1H2CA1CA2CA7
SCHEMBL26928833 0.75 ESR2 (0.65) ESR2NR1H2MAPTNPC1KMT2A
SCHEMBL5479181 0.74 DRD2 (0.38) CA1CA2CA7CA9CA14
SCHEMBL4890133 0.71 KMT2A (0.57) CA1CA2CA7CA9CA14

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 6 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-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

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 ESR2 324/4885SMN1; SMN2 2622/4885NR1H2 217/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 ESR2 54/4885SMN1; SMN2 2684/4885NR1H2 72/4885

“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.