SCHEMBL1012906

SCHEMBL1012906

COc1cc(S(=O)(=O)c2ccccc2)ccc1[C@@H]1CCN(S(C)(=O)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
HTR6 P50406 2/20 0.42
TP53 P04637 2/20 0.41
MCOLN3 Q8TDD5 2/20 0.41
MCOLN2 Q8IZK6 1/20 0.41
MCOLN1 Q9GZU1 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.40
DRD2 P14416 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL1012768 0.90 PDE4B (0.47) PDE4BHTR6DRD2ADRA1DADRA1A
SCHEMBL1012769 0.90 PDE4B (0.47) PDE4BHTR6DRD2ADRA1DADRA1A
SCHEMBL1016146 0.85 HTR6 (0.44) PDE4BHTR6TP53ALDH1A1TSHR
SCHEMBL1018308 0.81 SMN1; SMN2 (0.45) HTR6DRD2ADRA1DADRA1AADRA1B
SCHEMBL1018307 0.81 SMN1; SMN2 (0.45) HTR6DRD2ADRA1DADRA1AADRA1B
SCHEMBL1012908 0.80 HTR6 (0.41) PDE4BHTR6TP53MCOLN3MCOLN2
SCHEMBL1012964 0.76 HTR6 (0.50) HTR6TSHRPOLBMAPK1MAPT
SCHEMBL1012965 0.76 HTR6 (0.50) HTR6TSHRPOLBMAPK1MAPT
SCHEMBL1016147 0.75 HTR6 (0.40) HTR6TP53ALDH1A1DRD2KDM4E
SCHEMBL1015421 0.75 HTR6 (0.51) HTR6TSHRPOLBMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US 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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F PDE4B 1026/4885HTR6 1/4885TP53 4375/4885

“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.