SCHEMBL3902011

SCHEMBL3902011

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
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
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
MAP3K5 Q99683 2/20 0.41
HCRTR2 O43614 7/20 0.40
HCRTR1 O43613 4/20 0.40
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
ABHD6 Q9BV23 1/20 0.38

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
SCHEMBL3900136 0.83 KMT2A (0.54) ESR2NR1H2CA1CA2CA7
SCHEMBL3910405 0.81 ESR2 (0.49) ESR2NR1H2CA1CA2CA7
SCHEMBL3901828 0.77 PNMT (0.38)
SCHEMBL3902007 0.76 ESR2 (0.46) ESR2NR1H2CA1CA2CA7
SCHEMBL3900360 0.75 ESR2 (0.47) ESR2NR1H2CA1CA2CA7
SCHEMBL26928833 0.75 ESR2 (0.65) ESR2NR1H2ALDH1A1HSD17B10HCRTR2
SCHEMBL4887148 0.73 KMT2A (0.43) ESR2NR1H2ALDH1A1MAP3K5HCRTR2
SCHEMBL5479184 0.71 DRD2 (0.37) CA1CA2CA7CA9CA14
SCHEMBL4890133 0.71 KMT2A (0.57) CA1CA2CA7CA9CA14
SCHEMBL8793500 0.71 ESR2 (0.63) ESR2NR1H2CA1CA2CA7

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 4 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-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 324/4885NR1H2 217/4885CA1 751/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 ESR2 54/4885NR1H2 72/4885CA1 187/4885

“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.