SCHEMBL3895331

SCHEMBL3895331

CCOc1cc2c(cc1S(=O)(=O)F)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.52
ESR2 Q92731 3/20 0.52
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 1/20 0.43
PKM P14618 2/20 0.40
PDE4D Q08499 2/20 0.40
ABCB1 P08183 1/20 0.40
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL3900398 0.90 ESR1 (0.51) ESR1ESR2LMNAMAPTKDM4E
SCHEMBL3907654 0.87 ESR1 (0.61) ESR1ESR2KDM4EKMT2AABCB1
SCHEMBL3907217 0.81 ESR1 (0.55) ESR1ESR2KMT2APDE4DABCB1
SCHEMBL6248353 0.79 ALDH1A1 (0.45) LMNAMAPTKDM4EKMT2APKM
SCHEMBL3893409 0.78 ESR1 (0.75) ESR1ESR2RAB9AKMT2AABHD6
SCHEMBL3899179 0.77 ESR1 (0.60) ESR1ESR2KDM4EKMT2AABCB1
SCHEMBL21255989 0.77 ESR1 (0.69) ESR1ESR2MAPTKDM4ENPSR1
SCHEMBL22782330 0.75 ESR1 (0.60) ESR1ESR2LMNAMAPTKDM4E
SCHEMBL22782361 0.75 ESR1 (0.60) ESR1ESR2LMNAMAPTKDM4E
SCHEMBL21610968 0.72 ESR1 (0.63) ESR1ESR2MAPTKDM4EKMT2A

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-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
EP-1511727-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
WO-2003099786-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2003-12-04 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-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 324/4885LMNA 3348/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 ESR1 45/4885ESR2 54/4885LMNA 2085/4885

“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.