SCHEMBL4200554

SCHEMBL4200554

CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)C[C@H]1COS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.48
HTRA1 Q92743 1/20 0.46
NR1H2 P55055 6/20 0.45
NR1H3 Q13133 5/20 0.45
TACR1 P25103 3/20 0.40
GPR119 Q8TDV5 1/20 0.40
RORC P51449 1/20 0.39
ABCB1 P08183 1/20 0.39
HSD11B1 P28845 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SRC P12931 3/20 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
SCHEMBL4196102 1.00 HCRTR2 (0.48) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL29035297 0.84 SRC (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL1828470 0.84 SRC (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL4206113 0.84 SRC (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL14555313 0.84 HTRA1 (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL4194648 0.84 SRC (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL1828471 0.84 SRC (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL27228989 0.84 SRC (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL20371559 0.84 HTRA1 (0.50) HCRTR2HTRA1NR1H2NR1H3TACR1
SCHEMBL9544087 0.83 HTRA1 (0.49) HCRTR2HTRA1NR1H2NR1H3TACR1

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 7 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
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 HCRTR2 62/4885HTRA1 470/4885NR1H2 666/4885

“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.