SCHEMBL1013369

SCHEMBL1013369

CCS(=O)(=O)N1CCC(c2c(O)cccc2S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
HTR6 P50406 4/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 2/20 0.37
DRD3 P35462 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL1016617 0.81 HTR6 (0.54) KMT2AHTR6ALDH1A1GAA
SCHEMBL1013368 0.79 HTR6 (0.43) KMT2AHTR6MEN1KDM4EALDH1A1
SCHEMBL1014428 0.72 HTR6 (0.52) HTR6GAAPOLBGFER
SCHEMBL1016147 0.69 HTR6 (0.40) HTR6KDM4EALDH1A1DRD3GAA
SCHEMBL1019347 0.67 HTR6 (0.41) HTR6ALDH1A1DRD3
SCHEMBL1012908 0.67 HTR6 (0.41) HTR6KDM4EALDH1A1DRD3GAA
SCHEMBL29709995 0.65 POLB (0.66) KMT2AHTR6MEN1ALDH1A1GAA
SCHEMBL312517 0.65 POLB (0.66) KMT2AHTR6MEN1ALDH1A1GAA
SCHEMBL139251 0.64 POLB (0.55) KMT2AHTR6MEN1ALDH1A1GAA
SCHEMBL1015497 0.64 HTR6 (0.45) HTR6DRD3

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
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP 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-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 KMT2A 1088/4885HTR6 1/4885MEN1 1640/4885

“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.