SCHEMBL4193162

SCHEMBL4193162

CCCN1C[C@H](CF)[C@@H](c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B2 P37059 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.43
HTR6 P50406 2/20 0.43
TSHR P16473 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 2/20 0.42
PKLR P30613 1/20 0.42
DRD2 P14416 1/20 0.41
SERPINE1 P05121 1/20 0.41
HSPD1 P10809 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN5 P54829 2/20 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
SCHEMBL4193171 1.00 NR3C1 (0.47) NR3C1PGRARESR2HSD17B2
SCHEMBL4193167 1.00 NR3C1 (0.47) NR3C1PGRARESR2HSD17B2
SCHEMBL4193701 0.87 NR3C1 (0.53) NR3C1PGRARESR2HSD17B2
SCHEMBL1546115 0.83 DRD2 (0.55) NR3C1PGRARESR2HSD17B2
SCHEMBL1546113 0.83 DRD2 (0.55) NR3C1PGRARESR2HSD17B2
Hydrochloric Acid SCHEMBL4200626 0.79 HTR6 (0.47) NR3C1PGRARESR2HSD17B2
Hydrochloric Acid SCHEMBL4200633 0.79 HTR6 (0.47) NR3C1PGRARESR2HSD17B2
Hydrochloric Acid SCHEMBL4200630 0.79 HTR6 (0.47) NR3C1PGRARESR2HSD17B2
SCHEMBL4188603 0.78 PSEN1 (0.52) NR3C1PGRARESR2LMNA
SCHEMBL4195427 0.78 NR3C1 (0.47) NR3C1PGRARESR2HSD17B2

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-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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 (1 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A NR3C1 120/4885PGR 492/4885AR 606/4885

“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.