SCHEMBL4201035

SCHEMBL4201035

O=S(=O)(Nc1ccc(C2CNC2)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.58
PGR P06401 1/20 0.58
AR P10275 1/20 0.58
ESR2 Q92731 1/20 0.58
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HSD17B2 P37059 1/20 0.54
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
HSPD1 P10809 2/20 0.49
PTPN2 P17706 2/20 0.49
PTPN1 P18031 2/20 0.49
PTPN5 P54829 2/20 0.49

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 0.91 NR3C1 (0.54) NR3C1PGRARESR2HDAC1
SCHEMBL4195874 0.91 NR3C1 (0.54) NR3C1PGRARESR2HDAC1
SCHEMBL4204724 0.89 TSHR (0.55) NR3C1PGRARESR2HDAC1
SCHEMBL4206444 0.83 FFAR1 (0.47) NR3C1PGRARESR2HSD17B2
SCHEMBL4206291 0.81 HTR2C (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL4195759 0.81 HTR2C (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL4195766 0.81 HTR2C (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL4193701 0.81 NR3C1 (0.53) NR3C1PGRARESR2HDAC1
SCHEMBL7572806 0.79 NR3C1 (0.69) NR3C1PGRARESR2HDAC1
SCHEMBL3762909 0.79 PGR (0.77) NR3C1PGRARESR2HDAC1

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.