SCHEMBL4195874

SCHEMBL4195874

O=S(=O)(Nc1ccc([C@@H]2CCNC2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
AR P10275 1/20 0.54
ESR2 Q92731 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HTR6 P50406 1/20 0.50
HSD17B2 P37059 1/20 0.50
TSHR P16473 1/20 0.49
THRB P10828 2/20 0.48
LMNA P02545 1/20 0.48
HTR2C P28335 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4195878 1.00 NR3C1 (0.54) NR3C1PGRARESR2HDAC1
SCHEMBL4201035 0.91 NR3C1 (0.58) NR3C1PGRARESR2HDAC1
SCHEMBL4195766 0.90 HTR2C (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL4195759 0.90 HTR2C (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL4206291 0.90 HTR2C (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL4202815 0.82 HTR2C (0.45) HTR6LMNAHTR2CMAPT
SCHEMBL4202820 0.82 HTR2C (0.45) HTR6LMNAHTR2CMAPT
SCHEMBL4204724 0.81 TSHR (0.55) NR3C1PGRARESR2HDAC1
SCHEMBL4193701 0.77 NR3C1 (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL1546446 0.76 DRD2 (0.60) HDAC1HDAC8HTR6LMNAMAPT

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 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.