SCHEMBL4206335

SCHEMBL4206335

CCCN1CCC(c2ccc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
DRD2 P14416 4/20 0.45
DRD1 P21728 3/20 0.45
DRD4 P21917 3/20 0.45
DRD5 P21918 3/20 0.45
DRD3 P35462 3/20 0.45
HSPD1 P10809 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
HSPE1 P61604 1/20 0.42
ERAP1 Q9NZ08 3/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL4206331 1.00 TP53 (0.46) TP53LMNATHRBHRH3DRD2
SCHEMBL5571594 0.89 HRH3 (0.56) TP53LMNAHRH3DRD2DRD1
SCHEMBL5571596 0.89 HRH3 (0.56) TP53LMNAHRH3DRD2DRD1
Hydrochloric Acid SCHEMBL1546796 0.88 HRH3 (0.55) LMNAHRH3DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL1546792 0.88 HRH3 (0.55) LMNAHRH3DRD2DRD1DRD4
SCHEMBL5574196 0.85 DRD2 (0.48) TP53LMNADRD2DRD1DRD4
SCHEMBL5574190 0.85 DRD2 (0.48) TP53LMNADRD2DRD1DRD4
SCHEMBL1546319 0.84 HRH3 (0.46) TP53LMNAHRH3DRD2DRD1
SCHEMBL1546316 0.84 HRH3 (0.46) TP53LMNAHRH3DRD2DRD1
Hydrochloric Acid SCHEMBL1546142 0.84 DRD2 (0.47) TP53LMNADRD2DRD1DRD4

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-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
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

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 TP53 4688/4885LMNA 4039/4885THRB 438/4885

“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.