SCHEMBL1013368

SCHEMBL1013368

CCS(=O)(=O)N1CC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DRD3 P35462 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CHRM2 P08172 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL1016616 0.82 HTR6 (0.53) HTR6CHRM2
SCHEMBL1015495 0.80 SFRP1 (0.51) HTR6DRD3
SCHEMBL1015637 0.79 SFRP1 (0.41) HTR6
SCHEMBL1013369 0.79 KMT2A (0.40) HTR6ALDH1A1KDM4EDRD3MEN1
SCHEMBL1014142 0.77 HTR6 (0.41) HTR6
SCHEMBL1014141 0.77 HTR6 (0.41) HTR6
SCHEMBL1016146 0.76 HTR6 (0.44) HTR6ALDH1A1LMNATSHRTHRB
SCHEMBL1980009 0.75 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1
SCHEMBL13210960 0.75 DRD2 (0.35) HTR6LMNAKDM4EDRD3HTT
SCHEMBL1018307 0.75 SMN1; SMN2 (0.45) HTR6MEN1KMT2A

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 8 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 claimed
EP-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP claimed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO claimed
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 HTR6 1/4885ALDH1A1 619/4885LMNA 2713/4885

“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.